N-[(3-fluorophenyl)methyl]-3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]-N-[(1-methoxycyclopentyl)methyl]benzamide

C52H53FN8O7 — CID 160804010

IUPACN-[(3-fluorophenyl)methyl]-3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]-N-[(1-methoxycyclopentyl)methyl]benzamide
SMILESCOC1(CNC(=O)c2cccc([C@@H](CO)NC(=O)c3ccc(-c4cn[nH]c4)cc3)c2)CCCC1.O=C(NCc1cccc(F)c1)c1cccc([C@@H](CO)NC(=O)c2ccc(-c3cn[nH]c3)cc2)c1
InChIInChI=1S/C26H23FN4O3.C26H30N4O4/c27-23-6-1-3-17(11-23)13-28-25(33)21-5-2-4-20(12-21)24(16-32)31-26(34)19-9-7-18(8-10-19)22-14-29-30-15-22;1-34-26(11-2-3-12-26)17-27-24(32)21-6-4-5-20(13-21)23(16-31)30-25(33)19-9-7-18(8-10-19)22-14-28-29-15-22/h1-12,14-15,24,32H,13,16H2,(H,28,33)(H,29,30)(H,31,34);4-10,13-15,23,31H,2-3,11-12,16-17H2,1H3,(H,27,32)(H,28,29)(H,30,33)/t24-;23-/m11/s1
InChIKeySDLJTOIQTOBPAS-IQZYBRHYSA-N
MW921.04 g/mol
LogP6.84
Rot. Bonds17

About N-[(3-fluorophenyl)methyl]-3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]-N-[(1-methoxycyclopentyl)methyl]benzamide

N-[(3-fluorophenyl)methyl]-3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]-N-[(1-methoxycyclopentyl)methyl]benzamide (PubChem CID 160804010) has the molecular formula C52H53FN8O7 and a molecular weight of 921.04 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]-N-[(1-methoxycyclopentyl)methyl]benzamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]-N-[(1-methoxycyclopentyl)methyl]benzamide
PubChem CID160804010
Molecular FormulaC52H53FN8O7
Molecular Weight921.04 g/mol
Exact Mass920.40
IUPAC NameN-[(3-fluorophenyl)methyl]-3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]-N-[(1-methoxycyclopentyl)methyl]benzamide
SMILESCOC1(CNC(=O)c2cccc([C@@H](CO)NC(=O)c3ccc(-c4cn[nH]c4)cc3)c2)CCCC1.O=C(NCc1cccc(F)c1)c1cccc([C@@H](CO)NC(=O)c2ccc(-c3cn[nH]c3)cc2)c1
InChIInChI=1S/C26H23FN4O3.C26H30N4O4/c27-23-6-1-3-17(11-23)13-28-25(33)21-5-2-4-20(12-21)24(16-32)31-26(34)19-9-7-18(8-10-19)22-14-29-30-15-22;1-34-26(11-2-3-12-26)17-27-24(32)21-6-4-5-20(13-21)23(16-31)30-25(33)19-9-7-18(8-10-19)22-14-28-29-15-22/h1-12,14-15,24,32H,13,16H2,(H,28,33)(H,29,30)(H,31,34);4-10,13-15,23,31H,2-3,11-12,16-17H2,1H3,(H,27,32)(H,28,29)(H,30,33)/t24-;23-/m11/s1
InChIKeySDLJTOIQTOBPAS-IQZYBRHYSA-N
XLogP6.84
TPSA223.45 Ų
H-Bond Donors8
H-Bond Acceptors9
Rotatable Bonds17
Heavy Atoms68
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500921.04
LogP ≤ 56.84
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 109

Analyze N-[(3-fluorophenyl)methyl]-3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]-N-[(1-methoxycyclopentyl)methyl]benzamide with MolForge

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Related Compounds

N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-fluoro-4-(1H-pyrazol-4-yl)benzamide
CID 139400402
N-cyclopentyl-3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide
CID 134475016
N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-3-(1H-pyrazol-4-yl)benzamide
CID 139400388
N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-methyl-4-(1H-pyrazol-4-yl)benzamide
CID 139400403
3-N-[(2R,3S)-3-amino-4-(3,5-difluorophenyl)-2-hydroxybutyl]-3-N-[(3-ethylphenyl)methyl]-1-N,1-N-dipropyl-5-(1H-pyrazol-4-yl)benzene-1,3-dicarboxamide
CID 58998605
1-N-[(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxybutan-2-yl]-3-N,3-N-dipropyl-5-(1H-pyrazol-4-yl)benzene-1,3-dicarboxamide
CID 68611377
N-[(1S)-1-(2,6-difluorophenyl)-2-hydroxyethyl]-3-methyl-4-(1H-pyrazol-4-yl)benzamide
CID 118663056
N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-3-fluoro-4-(1H-pyrazol-4-yl)benzamide
CID 139400421
N-[(3-fluorophenyl)methyl]-3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide
CID 139400424
3-N-[(2R)-3-amino-4-(3,5-difluorophenyl)-2-hydroxybutyl]-3-N-[(3-ethylphenyl)methyl]-1-N,1-N-dipropyl-5-(1H-pyrazol-4-yl)benzene-1,3-dicarboxamide
CID 142872175
N-cyclopentyl-3-[(2S)-5-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-1-hydroxy-5-oxopentan-2-yl]benzamide
CID 153635236
3-[1-[6-(5-fluoro-1H-pyrazol-4-yl)-4-(2-hydroxyethyl)-1-oxoisoquinolin-2-yl]ethyl]-N-methylbenzamide
CID 164572195

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]-N-[(1-methoxycyclopentyl)methyl]benzamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]-N-[(1-methoxycyclopentyl)methyl]benzamide (CID 160804010) is N-[(3-fluorophenyl)methyl]-3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]-N-[(1-methoxycyclopentyl)methyl]benzamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]-N-[(1-methoxycyclopentyl)methyl]benzamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]-N-[(1-methoxycyclopentyl)methyl]benzamide is COC1(CNC(=O)c2cccc([C@@H](CO)NC(=O)c3ccc(-c4cn[nH]c4)cc3)c2)CCCC1.O=C(NCc1cccc(F)c1)c1cccc([C@@H](CO)NC(=O)c2ccc(-c3cn[nH]c3)cc2)c1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]-N-[(1-methoxycyclopentyl)methyl]benzamide?
The InChIKey is SDLJTOIQTOBPAS-IQZYBRHYSA-N. The full InChI is InChI=1S/C26H23FN4O3.C26H30N4O4/c27-23-6-1-3-17(11-23)13-28-25(33)21-5-2-4-20(12-21)24(16-32)31-26(34)19-9-7-18(8-10-19)22-14-29-30-15-22;1-34-26(11-2-3-12-26)17-27-24(32)21-6-4-5-20(13-21)23(16-31)30-25(33)19-9-7-18(8-10-19)22-14-28-29-15-22/h1-12,14-15,24,32H,13,16H2,(H,28,33)(H,29,30)(H,31,34);4-10,13-15,23,31H,2-3,11-12,16-17H2,1H3,(H,27,32)(H,28,29)(H,30,33)/t24-;23-/m11/s1.
What are the key properties of N-[(3-fluorophenyl)methyl]-3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]-N-[(1-methoxycyclopentyl)methyl]benzamide?
N-[(3-fluorophenyl)methyl]-3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]-N-[(1-methoxycyclopentyl)methyl]benzamide has a molecular weight of 921.04 g/mol, XLogP of 6.84, 17 rotatable bonds, 8 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]-N-[(1-methoxycyclopentyl)methyl]benzamide is sourced from PubChem (CID 160804010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).