2-chloro-N-[(3S)-5-hydroxy-3-phenylpentyl]benzamide

C18H20ClNO2 — CID 99872819

IUPAC2-chloro-N-[(3S)-5-hydroxy-3-phenylpentyl]benzamide
SMILESO=C(NCC[C@@H](CCO)c1ccccc1)c1ccccc1Cl
InChIInChI=1S/C18H20ClNO2/c19-17-9-5-4-8-16(17)18(22)20-12-10-15(11-13-21)14-6-2-1-3-7-14/h1-9,15,21H,10-13H2,(H,20,22)/t15-/m0/s1
InChIKeyPYWMDHCNDJXSDS-HNNXBMFYSA-N
MW317.82 g/mol
LogP3.63
Rot. Bonds7

About 2-chloro-N-[(3S)-5-hydroxy-3-phenylpentyl]benzamide

2-chloro-N-[(3S)-5-hydroxy-3-phenylpentyl]benzamide (PubChem CID 99872819) has the molecular formula C18H20ClNO2 and a molecular weight of 317.82 g/mol. Its IUPAC name is 2-chloro-N-[(3S)-5-hydroxy-3-phenylpentyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(3S)-5-hydroxy-3-phenylpentyl]benzamide
PubChem CID99872819
Molecular FormulaC18H20ClNO2
Molecular Weight317.82 g/mol
Exact Mass317.12
IUPAC Name2-chloro-N-[(3S)-5-hydroxy-3-phenylpentyl]benzamide
SMILESO=C(NCC[C@@H](CCO)c1ccccc1)c1ccccc1Cl
InChIInChI=1S/C18H20ClNO2/c19-17-9-5-4-8-16(17)18(22)20-12-10-15(11-13-21)14-6-2-1-3-7-14/h1-9,15,21H,10-13H2,(H,20,22)/t15-/m0/s1
InChIKeyPYWMDHCNDJXSDS-HNNXBMFYSA-N
XLogP3.63
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-(5-hydroxy-3-thiophen-3-ylpentyl)benzamide
CID 122160784
1-(2-chlorophenyl)-3-[(3S)-5-hydroxy-3-phenylpentyl]urea
CID 99872943
4-[(2-chlorobenzoyl)amino]-2-hydroxybutanoic acid
CID 107832377
2-chloro-N-(3-methylbutyl)benzamide
CID 669760
N-[(3S)-5-hydroxy-3-phenylpentyl]cyclopropanecarboxamide
CID 99872804
1-ethyl-3-(5-hydroxy-3-phenylpentyl)urea
CID 121112411
3-bromo-N-[(3S)-5-hydroxy-3-phenylpentyl]benzamide
CID 99872845
N-(5-hydroxy-3-phenylpentyl)-4-methoxybenzamide
CID 121112144
2-bromo-N-[(3S)-5-hydroxy-3-phenylpentyl]-5-methoxybenzamide
CID 99872851
N-(3-bromobutyl)-2-chlorobenzamide
CID 114312542
N-[(3S)-5-hydroxy-3-phenylpentyl]-1-benzofuran-2-carboxamide
CID 99872827
methyl 5-[(2,4-dichlorobenzoyl)amino]-3-phenylpentanoate
CID 54434965

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(3S)-5-hydroxy-3-phenylpentyl]benzamide?
The IUPAC name of 2-chloro-N-[(3S)-5-hydroxy-3-phenylpentyl]benzamide (CID 99872819) is 2-chloro-N-[(3S)-5-hydroxy-3-phenylpentyl]benzamide.
What is the SMILES notation for 2-chloro-N-[(3S)-5-hydroxy-3-phenylpentyl]benzamide?
The canonical SMILES for 2-chloro-N-[(3S)-5-hydroxy-3-phenylpentyl]benzamide is O=C(NCC[C@@H](CCO)c1ccccc1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[(3S)-5-hydroxy-3-phenylpentyl]benzamide?
The InChIKey is PYWMDHCNDJXSDS-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H20ClNO2/c19-17-9-5-4-8-16(17)18(22)20-12-10-15(11-13-21)14-6-2-1-3-7-14/h1-9,15,21H,10-13H2,(H,20,22)/t15-/m0/s1.
What are the key properties of 2-chloro-N-[(3S)-5-hydroxy-3-phenylpentyl]benzamide?
2-chloro-N-[(3S)-5-hydroxy-3-phenylpentyl]benzamide has a molecular weight of 317.82 g/mol, XLogP of 3.63, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(3S)-5-hydroxy-3-phenylpentyl]benzamide is sourced from PubChem (CID 99872819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).