3-chloro-N-[3-[(1S)-1-hydroxyethyl]phenyl]benzamide

C15H14ClNO2 — CID 27209859

IUPAC3-chloro-N-[3-[(1S)-1-hydroxyethyl]phenyl]benzamide
SMILESC[C@H](O)c1cccc(NC(=O)c2cccc(Cl)c2)c1
InChIInChI=1S/C15H14ClNO2/c1-10(18)11-4-3-7-14(9-11)17-15(19)12-5-2-6-13(16)8-12/h2-10,18H,1H3,(H,17,19)/t10-/m0/s1
InChIKeyJCMGVNDLXSFCAW-JTQLQIEISA-N
MW275.74 g/mol
LogP3.65
Rot. Bonds3

About 3-chloro-N-[3-[(1S)-1-hydroxyethyl]phenyl]benzamide

3-chloro-N-[3-[(1S)-1-hydroxyethyl]phenyl]benzamide (PubChem CID 27209859) has the molecular formula C15H14ClNO2 and a molecular weight of 275.74 g/mol. Its IUPAC name is 3-chloro-N-[3-[(1S)-1-hydroxyethyl]phenyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[3-[(1S)-1-hydroxyethyl]phenyl]benzamide
PubChem CID27209859
Molecular FormulaC15H14ClNO2
Molecular Weight275.74 g/mol
Exact Mass275.07
IUPAC Name3-chloro-N-[3-[(1S)-1-hydroxyethyl]phenyl]benzamide
SMILESC[C@H](O)c1cccc(NC(=O)c2cccc(Cl)c2)c1
InChIInChI=1S/C15H14ClNO2/c1-10(18)11-4-3-7-14(9-11)17-15(19)12-5-2-6-13(16)8-12/h2-10,18H,1H3,(H,17,19)/t10-/m0/s1
InChIKeyJCMGVNDLXSFCAW-JTQLQIEISA-N
XLogP3.65
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-[3-[(3-chlorobenzoyl)amino]phenyl]benzamide
CID 1369981
3-chloro-N-[3-(1-hydroxyethyl)phenyl]-4-methylbenzamide
CID 91676950
2,5-dichloro-N-[3-(1-hydroxyethyl)phenyl]benzamide
CID 91676947
N-(3-acetamidophenyl)-3-chlorobenzamide
CID 669190
4-chloro-N-[3-[(1R)-1-hydroxyethyl]phenyl]-3-nitrobenzamide
CID 100803593
3-chloro-N-(3-methylphenyl)benzamide
CID 722373
4-bromo-N-[3-(1-hydroxyethyl)phenyl]benzamide
CID 11841391
N-(3-chlorophenyl)-4-propan-2-ylbenzamide
CID 1406456
3-ethoxy-N-[3-[(1S)-1-hydroxyethyl]phenyl]benzamide
CID 100803554
N-[3-(1-hydroxyethyl)phenyl]-4-phenylbenzamide
CID 18552677
N-[(2R)-butan-2-yl]-3-[(3-chlorobenzoyl)amino]benzamide
CID 42427435
5-chloro-N-[3-(1-hydroxyethyl)phenyl]-2-methoxybenzamide
CID 11841436

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[3-[(1S)-1-hydroxyethyl]phenyl]benzamide?
The IUPAC name of 3-chloro-N-[3-[(1S)-1-hydroxyethyl]phenyl]benzamide (CID 27209859) is 3-chloro-N-[3-[(1S)-1-hydroxyethyl]phenyl]benzamide.
What is the SMILES notation for 3-chloro-N-[3-[(1S)-1-hydroxyethyl]phenyl]benzamide?
The canonical SMILES for 3-chloro-N-[3-[(1S)-1-hydroxyethyl]phenyl]benzamide is C[C@H](O)c1cccc(NC(=O)c2cccc(Cl)c2)c1.
What is the InChIKey of 3-chloro-N-[3-[(1S)-1-hydroxyethyl]phenyl]benzamide?
The InChIKey is JCMGVNDLXSFCAW-JTQLQIEISA-N. The full InChI is InChI=1S/C15H14ClNO2/c1-10(18)11-4-3-7-14(9-11)17-15(19)12-5-2-6-13(16)8-12/h2-10,18H,1H3,(H,17,19)/t10-/m0/s1.
What are the key properties of 3-chloro-N-[3-[(1S)-1-hydroxyethyl]phenyl]benzamide?
3-chloro-N-[3-[(1S)-1-hydroxyethyl]phenyl]benzamide has a molecular weight of 275.74 g/mol, XLogP of 3.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[3-[(1S)-1-hydroxyethyl]phenyl]benzamide is sourced from PubChem (CID 27209859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).