2-[[2-(3-bromophenyl)acetyl]amino]-N-cyclohexylbenzamide

C21H23BrN2O2 — CID 100698638

IUPAC2-[[2-(3-bromophenyl)acetyl]amino]-N-cyclohexylbenzamide
SMILESO=C(Cc1cccc(Br)c1)Nc1ccccc1C(=O)NC1CCCCC1
InChIInChI=1S/C21H23BrN2O2/c22-16-8-6-7-15(13-16)14-20(25)24-19-12-5-4-11-18(19)21(26)23-17-9-2-1-3-10-17/h4-8,11-13,17H,1-3,9-10,14H2,(H,23,26)(H,24,25)
InChIKeyOVVUKWJAQVQSNH-UHFFFAOYSA-N
MW415.33 g/mol
LogP4.69
Rot. Bonds5

About 2-[[2-(3-bromophenyl)acetyl]amino]-N-cyclohexylbenzamide

2-[[2-(3-bromophenyl)acetyl]amino]-N-cyclohexylbenzamide (PubChem CID 100698638) has the molecular formula C21H23BrN2O2 and a molecular weight of 415.33 g/mol. Its IUPAC name is 2-[[2-(3-bromophenyl)acetyl]amino]-N-cyclohexylbenzamide.

Molecular Properties

Compound Name2-[[2-(3-bromophenyl)acetyl]amino]-N-cyclohexylbenzamide
PubChem CID100698638
Molecular FormulaC21H23BrN2O2
Molecular Weight415.33 g/mol
Exact Mass414.09
IUPAC Name2-[[2-(3-bromophenyl)acetyl]amino]-N-cyclohexylbenzamide
SMILESO=C(Cc1cccc(Br)c1)Nc1ccccc1C(=O)NC1CCCCC1
InChIInChI=1S/C21H23BrN2O2/c22-16-8-6-7-15(13-16)14-20(25)24-19-12-5-4-11-18(19)21(26)23-17-9-2-1-3-10-17/h4-8,11-13,17H,1-3,9-10,14H2,(H,23,26)(H,24,25)
InChIKeyOVVUKWJAQVQSNH-UHFFFAOYSA-N
XLogP4.69
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.33
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromophenyl)-N-cyclopentylacetamide
CID 62605138
N-cyclohexyl-2-[[2-(4-phenylphenyl)acetyl]amino]benzamide
CID 100515269
2-(3-bromophenyl)-N-[2-(cyclohexylamino)-2-oxoethyl]acetamide
CID 112990967
N-cyclopentyl-2-[[2-(2-methylphenyl)acetyl]amino]benzamide
CID 17476217
[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 2-amino-5-bromobenzoate
CID 24557017
N-cyclohexyl-2-[[2-(2-methoxyphenyl)acetyl]amino]benzamide
CID 17320235
2-[(2-cyclohexylacetyl)amino]-N-cyclopropylbenzamide
CID 34280929
2-[[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]amino]-N-cyclopropylbenzamide
CID 18144272
5-[2-(cyclohexylcarbamoyl)anilino]-5-oxopentanoic acid
CID 4949663
2-[[2-(azocan-1-ium-1-yl)acetyl]amino]-N-cyclopentylbenzamide
CID 8583632
N-cyclopentyl-2-[(2-methylsulfanylacetyl)amino]benzamide
CID 26084225
[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 2-bromobenzoate
CID 16539773

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-bromophenyl)acetyl]amino]-N-cyclohexylbenzamide?
The IUPAC name of 2-[[2-(3-bromophenyl)acetyl]amino]-N-cyclohexylbenzamide (CID 100698638) is 2-[[2-(3-bromophenyl)acetyl]amino]-N-cyclohexylbenzamide.
What is the SMILES notation for 2-[[2-(3-bromophenyl)acetyl]amino]-N-cyclohexylbenzamide?
The canonical SMILES for 2-[[2-(3-bromophenyl)acetyl]amino]-N-cyclohexylbenzamide is O=C(Cc1cccc(Br)c1)Nc1ccccc1C(=O)NC1CCCCC1.
What is the InChIKey of 2-[[2-(3-bromophenyl)acetyl]amino]-N-cyclohexylbenzamide?
The InChIKey is OVVUKWJAQVQSNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23BrN2O2/c22-16-8-6-7-15(13-16)14-20(25)24-19-12-5-4-11-18(19)21(26)23-17-9-2-1-3-10-17/h4-8,11-13,17H,1-3,9-10,14H2,(H,23,26)(H,24,25).
What are the key properties of 2-[[2-(3-bromophenyl)acetyl]amino]-N-cyclohexylbenzamide?
2-[[2-(3-bromophenyl)acetyl]amino]-N-cyclohexylbenzamide has a molecular weight of 415.33 g/mol, XLogP of 4.69, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-bromophenyl)acetyl]amino]-N-cyclohexylbenzamide is sourced from PubChem (CID 100698638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).