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

C17H18BrNO2 — CID 110291619

IUPACN-[2-(4-bromophenyl)-2-hydroxypropyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCC(C)(O)c2ccc(Br)cc2)c1
InChIInChI=1S/C17H18BrNO2/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)
InChIKeyCQJCGDOBGRCXBF-UHFFFAOYSA-N
MW348.24 g/mol
LogP3.40
Rot. Bonds4

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

N-[2-(4-bromophenyl)-2-hydroxypropyl]-3-methylbenzamide (PubChem CID 110291619) has the molecular formula C17H18BrNO2 and a molecular weight of 348.24 g/mol. Its IUPAC name is N-[2-(4-bromophenyl)-2-hydroxypropyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[2-(4-bromophenyl)-2-hydroxypropyl]-3-methylbenzamide
PubChem CID110291619
Molecular FormulaC17H18BrNO2
Molecular Weight348.24 g/mol
Exact Mass347.05
IUPAC NameN-[2-(4-bromophenyl)-2-hydroxypropyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCC(C)(O)c2ccc(Br)cc2)c1
InChIInChI=1S/C17H18BrNO2/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)
InChIKeyCQJCGDOBGRCXBF-UHFFFAOYSA-N
XLogP3.40
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-chlorophenyl)-2-hydroxypropyl]-3-methylbenzamide
CID 110291494
N-[2-(4-bromophenyl)-2-hydroxypropyl]pyridine-3-carboxamide
CID 110291647
N-(2-hydroxy-2-phenylpropyl)-3,5-dimethylbenzamide
CID 111334967
3-chloro-N-[2-(4-chlorophenyl)-2-hydroxypropyl]benzamide
CID 110291527
3-bromo-N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide
CID 111452155
N-(2-hydroxy-2-phenylpropyl)-4-methylbenzamide
CID 110663962
N-[2-(4-methoxyphenyl)-2-methylpropyl]-3-methylbenzamide
CID 113090429
(4-bromophenyl)methyl 2-[(3-methylbenzoyl)amino]acetate
CID 9363996
N-[(2R)-2-hydroxy-2-phenylpropyl]-3-(trifluoromethyl)benzamide
CID 95368012
N-[2-(3-chlorophenyl)-2-methylpropyl]-3-methylbenzamide
CID 110441462
N-(5-chloro-2,2-dimethylpentyl)-3-methylbenzamide
CID 114149573
3-bromo-N-(2,3-dihydroxy-2-methylpropyl)benzamide
CID 66168403

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenyl)-2-hydroxypropyl]-3-methylbenzamide?
The IUPAC name of N-[2-(4-bromophenyl)-2-hydroxypropyl]-3-methylbenzamide (CID 110291619) is N-[2-(4-bromophenyl)-2-hydroxypropyl]-3-methylbenzamide.
What is the SMILES notation for N-[2-(4-bromophenyl)-2-hydroxypropyl]-3-methylbenzamide?
The canonical SMILES for N-[2-(4-bromophenyl)-2-hydroxypropyl]-3-methylbenzamide is Cc1cccc(C(=O)NCC(C)(O)c2ccc(Br)cc2)c1.
What is the InChIKey of N-[2-(4-bromophenyl)-2-hydroxypropyl]-3-methylbenzamide?
The InChIKey is CQJCGDOBGRCXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO2/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-bromophenyl)-2-hydroxypropyl]-3-methylbenzamide?
N-[2-(4-bromophenyl)-2-hydroxypropyl]-3-methylbenzamide has a molecular weight of 348.24 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenyl)-2-hydroxypropyl]-3-methylbenzamide is sourced from PubChem (CID 110291619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).