2-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methylbenzamide

C16H16ClNO2 — CID 103945018

IUPAC2-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)N[C@H](CO)c2ccccc2)c1Cl
InChIInChI=1S/C16H16ClNO2/c1-11-6-5-9-13(15(11)17)16(20)18-14(10-19)12-7-3-2-4-8-12/h2-9,14,19H,10H2,1H3,(H,18,20)/t14-/m1/s1
InChIKeySXHDBCYVLOSNOB-CQSZACIVSA-N
MW289.76 g/mol
LogP3.11
Rot. Bonds4

About 2-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methylbenzamide

2-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methylbenzamide (PubChem CID 103945018) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is 2-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methylbenzamide.

Molecular Properties

Compound Name2-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methylbenzamide
PubChem CID103945018
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC Name2-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)N[C@H](CO)c2ccccc2)c1Cl
InChIInChI=1S/C16H16ClNO2/c1-11-6-5-9-13(15(11)17)16(20)18-14(10-19)12-7-3-2-4-8-12/h2-9,14,19H,10H2,1H3,(H,18,20)/t14-/m1/s1
InChIKeySXHDBCYVLOSNOB-CQSZACIVSA-N
XLogP3.11
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
CID 39374837
2-amino-3-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
CID 107861897
2-fluoro-N-(2-hydroxy-1-phenylethyl)benzamide
CID 3315693
2-amino-N-(2-hydroxy-1-phenylethyl)-6-methylbenzamide
CID 63184679
N-[(1R)-2-hydroxy-1-phenylethyl]-2-iodobenzamide
CID 103772803
4-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 1480121
2-chloro-N-[1-(4-chlorophenyl)-2-hydroxyethyl]benzamide
CID 110004367
N-[(1R)-2-hydroxy-1-phenylethyl]-2-methoxybenzamide
CID 39370043
3-amino-2-hydroxy-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 58736733
2-fluoro-N-(3-hydroxy-1-phenylpropyl)-3-methylbenzamide
CID 75496576
N-(2-hydroxy-1-phenylethyl)-3-methyl-1,2-thiazole-4-carboxamide
CID 110028233
2-hydroxy-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methoxybenzamide
CID 103945214

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methylbenzamide?
The IUPAC name of 2-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methylbenzamide (CID 103945018) is 2-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methylbenzamide.
What is the SMILES notation for 2-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methylbenzamide?
The canonical SMILES for 2-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methylbenzamide is Cc1cccc(C(=O)N[C@H](CO)c2ccccc2)c1Cl.
What is the InChIKey of 2-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methylbenzamide?
The InChIKey is SXHDBCYVLOSNOB-CQSZACIVSA-N. The full InChI is InChI=1S/C16H16ClNO2/c1-11-6-5-9-13(15(11)17)16(20)18-14(10-19)12-7-3-2-4-8-12/h2-9,14,19H,10H2,1H3,(H,18,20)/t14-/m1/s1.
What are the key properties of 2-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methylbenzamide?
2-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methylbenzamide has a molecular weight of 289.76 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methylbenzamide is sourced from PubChem (CID 103945018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).