N-[(3-fluorophenyl)methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide

C28H24FN3O3 — CID 134474999

IUPACN-[(3-fluorophenyl)methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide
SMILESO=C(NCc1cccc(F)c1)c1cccc([C@@H](CO)NC(=O)c2ccc(-c3ccncc3)cc2)c1
InChIInChI=1S/C28H24FN3O3/c29-25-6-1-3-19(15-25)17-31-27(34)24-5-2-4-23(16-24)26(18-33)32-28(35)22-9-7-20(8-10-22)21-11-13-30-14-12-21/h1-16,26,33H,17-18H2,(H,31,34)(H,32,35)/t26-/m1/s1
InChIKeyGNTZDXPGKZTWAB-AREMUKBSSA-N
MW469.52 g/mol
LogP4.28
Rot. Bonds8

About N-[(3-fluorophenyl)methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide

N-[(3-fluorophenyl)methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide (PubChem CID 134474999) has the molecular formula C28H24FN3O3 and a molecular weight of 469.52 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide
PubChem CID134474999
Molecular FormulaC28H24FN3O3
Molecular Weight469.52 g/mol
Exact Mass469.18
IUPAC NameN-[(3-fluorophenyl)methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide
SMILESO=C(NCc1cccc(F)c1)c1cccc([C@@H](CO)NC(=O)c2ccc(-c3ccncc3)cc2)c1
InChIInChI=1S/C28H24FN3O3/c29-25-6-1-3-19(15-25)17-31-27(34)24-5-2-4-23(16-24)26(18-33)32-28(35)22-9-7-20(8-10-22)21-11-13-30-14-12-21/h1-16,26,33H,17-18H2,(H,31,34)(H,32,35)/t26-/m1/s1
InChIKeyGNTZDXPGKZTWAB-AREMUKBSSA-N
XLogP4.28
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.52
LogP ≤ 54.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(dimethylamino)phenyl]methyl]-3-[2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide
CID 170951287
N-[(3-fluorophenyl)methyl]-4-[4-(hydroxycarbamoyl)phenyl]benzamide
CID 87468494
N-[(3-fluorophenyl)methyl]-4-(pyridin-4-ylmethylcarbamoylamino)benzamide
CID 135222520
N-[[3-(2-methoxyethoxy)phenyl]methyl]-3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzamide
CID 142337904
methyl 4-[[3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzoyl]amino]piperidine-1-carboxylate
CID 139400406
N-[(4-methoxyphenyl)methyl]-3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzamide
CID 170951274
N-[(3-fluorophenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide
CID 71841647
2-N,4-N-bis[(3-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 10293185
N-[(3-fluorophenyl)methyl]-4-sulfanylbenzamide
CID 107022080
ethyl 3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzoate;methanol
CID 142337828
3-(3-fluoro-1H-isoindol-5-yl)-N-[1-(3-fluorophenyl)-2-hydroxyethyl]benzamide
CID 163678461
N-[(3-fluorophenyl)methyl]-5-(4-hydroxyphenyl)pyridine-3-carboxamide;methane
CID 159549428

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide (CID 134474999) is N-[(3-fluorophenyl)methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide is O=C(NCc1cccc(F)c1)c1cccc([C@@H](CO)NC(=O)c2ccc(-c3ccncc3)cc2)c1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide?
The InChIKey is GNTZDXPGKZTWAB-AREMUKBSSA-N. The full InChI is InChI=1S/C28H24FN3O3/c29-25-6-1-3-19(15-25)17-31-27(34)24-5-2-4-23(16-24)26(18-33)32-28(35)22-9-7-20(8-10-22)21-11-13-30-14-12-21/h1-16,26,33H,17-18H2,(H,31,34)(H,32,35)/t26-/m1/s1.
What are the key properties of N-[(3-fluorophenyl)methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide?
N-[(3-fluorophenyl)methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide has a molecular weight of 469.52 g/mol, XLogP of 4.28, 8 rotatable bonds, 3 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-pyridin-4-ylbenzoyl)amino]ethyl]benzamide is sourced from PubChem (CID 134474999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).