N-[2-(4-chlorophenyl)-2-hydroxypropyl]-3-methylbenzamide

C17H18ClNO2 — CID 110291494

IUPACN-[2-(4-chlorophenyl)-2-hydroxypropyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCC(C)(O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C17H18ClNO2/c1-12-4-3-5-13(10-12)16(20)19-11-17(2,21)14-6-8-15(18)9-7-14/h3-10,21H,11H2,1-2H3,(H,19,20)
InChIKeyWOCHLMAUQUWNQZ-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.29
Rot. Bonds4

About N-[2-(4-chlorophenyl)-2-hydroxypropyl]-3-methylbenzamide

N-[2-(4-chlorophenyl)-2-hydroxypropyl]-3-methylbenzamide (PubChem CID 110291494) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-2-hydroxypropyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-2-hydroxypropyl]-3-methylbenzamide
PubChem CID110291494
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC NameN-[2-(4-chlorophenyl)-2-hydroxypropyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCC(C)(O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C17H18ClNO2/c1-12-4-3-5-13(10-12)16(20)19-11-17(2,21)14-6-8-15(18)9-7-14/h3-10,21H,11H2,1-2H3,(H,19,20)
InChIKeyWOCHLMAUQUWNQZ-UHFFFAOYSA-N
XLogP3.29
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-[2-(4-chlorophenyl)-2-hydroxypropyl]benzamide
CID 110291527
N-[2-(4-bromophenyl)-2-hydroxypropyl]-3-methylbenzamide
CID 110291619
N-[2-(3-chlorophenyl)-2-methylpropyl]-3-methylbenzamide
CID 110441462
N-[(4-chlorophenyl)methyl]-3-methylbenzamide
CID 966012
N'-(4-chlorobenzoyl)-3-methylbenzohydrazide
CID 959739
N-[2-(4-chlorophenyl)-2-hydroxypropyl]-3,4-dimethoxybenzamide
CID 110291508
N-(2-hydroxy-2-phenylpropyl)-3,5-dimethylbenzamide
CID 111334967
N-(5-chloro-2,2-dimethylpentyl)-3-methylbenzamide
CID 114149573
N-(2-hydroxy-2-phenylpropyl)-4-methylbenzamide
CID 110663962
N-[2-(4-methoxyphenyl)-2-methylpropyl]-3-methylbenzamide
CID 113090429
2,4-dichloro-N-[2-(4-chlorophenyl)-2-hydroxypropyl]benzamide
CID 110291543
N'-tert-butyl-N'-(4-chlorobenzoyl)-3-methylbenzohydrazide
CID 23164401

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-2-hydroxypropyl]-3-methylbenzamide?
The IUPAC name of N-[2-(4-chlorophenyl)-2-hydroxypropyl]-3-methylbenzamide (CID 110291494) is N-[2-(4-chlorophenyl)-2-hydroxypropyl]-3-methylbenzamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-2-hydroxypropyl]-3-methylbenzamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-2-hydroxypropyl]-3-methylbenzamide is Cc1cccc(C(=O)NCC(C)(O)c2ccc(Cl)cc2)c1.
What is the InChIKey of N-[2-(4-chlorophenyl)-2-hydroxypropyl]-3-methylbenzamide?
The InChIKey is WOCHLMAUQUWNQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2/c1-12-4-3-5-13(10-12)16(20)19-11-17(2,21)14-6-8-15(18)9-7-14/h3-10,21H,11H2,1-2H3,(H,19,20).
What are the key properties of N-[2-(4-chlorophenyl)-2-hydroxypropyl]-3-methylbenzamide?
N-[2-(4-chlorophenyl)-2-hydroxypropyl]-3-methylbenzamide has a molecular weight of 303.79 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-2-hydroxypropyl]-3-methylbenzamide is sourced from PubChem (CID 110291494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).