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

C26H23FN4O3 — CID 139400424

IUPACN-[(3-fluorophenyl)methyl]-3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide
SMILESO=C(NCc1cccc(F)c1)c1cccc([C@@H](CO)NC(=O)c2ccc(-c3cn[nH]c3)cc2)c1
InChIInChI=1S/C26H23FN4O3/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/h1-12,14-15,24,32H,13,16H2,(H,28,33)(H,29,30)(H,31,34)/t24-/m1/s1
InChIKeyQIDMMYSUZBNJRC-XMMPIXPASA-N
MW458.49 g/mol
LogP3.61
Rot. Bonds8

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

N-[(3-fluorophenyl)methyl]-3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide (PubChem CID 139400424) has the molecular formula C26H23FN4O3 and a molecular weight of 458.49 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide
PubChem CID139400424
Molecular FormulaC26H23FN4O3
Molecular Weight458.49 g/mol
Exact Mass458.18
IUPAC NameN-[(3-fluorophenyl)methyl]-3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide
SMILESO=C(NCc1cccc(F)c1)c1cccc([C@@H](CO)NC(=O)c2ccc(-c3cn[nH]c3)cc2)c1
InChIInChI=1S/C26H23FN4O3/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/h1-12,14-15,24,32H,13,16H2,(H,28,33)(H,29,30)(H,31,34)/t24-/m1/s1
InChIKeyQIDMMYSUZBNJRC-XMMPIXPASA-N
XLogP3.61
TPSA107.11 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.49
LogP ≤ 53.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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

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Related Compounds

2-(2,6-difluorophenyl)-1-[(1S,3R)-3-(hydroxymethyl)-1-methyl-5-(1H-pyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
CID 146192950
N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(1-hydroxyethyl)-4-(1H-pyrazol-4-yl)benzamide
CID 90376025
N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(hydroxymethyl)-4-(1H-pyrazol-4-yl)benzamide
CID 90385133
N-[(1R)-1-(4-fluorophenyl)ethyl]-3-[(1S)-1-hydroxyethyl]-4-(1H-pyrazol-4-yl)benzamide
CID 131636096
N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-fluoro-4-(1H-pyrazol-4-yl)benzamide
CID 139400402
N-[1-(3,5-difluorophenyl)-2-hydroxyethyl]-3-(1H-indazol-5-yl)benzamide
CID 146208864
N-[1-(3,4-difluorophenyl)-2-hydroxyethyl]-3-(1H-indazol-5-yl)benzamide
CID 146208995
N-[1-(2,5-difluorophenyl)-2-hydroxyethyl]-3-(1H-indazol-5-yl)benzamide
CID 146209056
N-[1-(3-fluorophenyl)-2-hydroxyethyl]-3-(1H-indazol-5-yl)benzamide
CID 146209147
N-[1-(2,3-difluorophenyl)-2-hydroxyethyl]-3-(1H-indazol-5-yl)benzamide
CID 162488665
N-cyclopentyl-3-[(1R)-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide
CID 139400401
N-[(1R)-1-(4-fluorophenyl)ethyl]-3-[(1R)-1-hydroxyethyl]-4-(1H-pyrazol-4-yl)benzamide
CID 131636097

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?
The IUPAC name of N-[(3-fluorophenyl)methyl]-3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide (CID 139400424) is N-[(3-fluorophenyl)methyl]-3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]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?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide is 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?
The InChIKey is QIDMMYSUZBNJRC-XMMPIXPASA-N. The full InChI is InChI=1S/C26H23FN4O3/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/h1-12,14-15,24,32H,13,16H2,(H,28,33)(H,29,30)(H,31,34)/t24-/m1/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?
N-[(3-fluorophenyl)methyl]-3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide has a molecular weight of 458.49 g/mol, XLogP of 3.61, 8 rotatable bonds, 4 hydrogen bond donors, and 4 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 is sourced from PubChem (CID 139400424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).