4-[[2-(2-bromoanilino)acetyl]amino]-N-cyclohexylbenzamide

C21H24BrN3O2 — CID 54816658

IUPAC4-[[2-(2-bromoanilino)acetyl]amino]-N-cyclohexylbenzamide
SMILESO=C(CNc1ccccc1Br)Nc1ccc(C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C21H24BrN3O2/c22-18-8-4-5-9-19(18)23-14-20(26)24-17-12-10-15(11-13-17)21(27)25-16-6-2-1-3-7-16/h4-5,8-13,16,23H,1-3,6-7,14H2,(H,24,26)(H,25,27)
InChIKeyDCTTZFJXHHEYME-UHFFFAOYSA-N
MW430.35 g/mol
LogP4.56
Rot. Bonds6

About 4-[[2-(2-bromoanilino)acetyl]amino]-N-cyclohexylbenzamide

4-[[2-(2-bromoanilino)acetyl]amino]-N-cyclohexylbenzamide (PubChem CID 54816658) has the molecular formula C21H24BrN3O2 and a molecular weight of 430.35 g/mol. Its IUPAC name is 4-[[2-(2-bromoanilino)acetyl]amino]-N-cyclohexylbenzamide.

Molecular Properties

Compound Name4-[[2-(2-bromoanilino)acetyl]amino]-N-cyclohexylbenzamide
PubChem CID54816658
Molecular FormulaC21H24BrN3O2
Molecular Weight430.35 g/mol
Exact Mass429.11
IUPAC Name4-[[2-(2-bromoanilino)acetyl]amino]-N-cyclohexylbenzamide
SMILESO=C(CNc1ccccc1Br)Nc1ccc(C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C21H24BrN3O2/c22-18-8-4-5-9-19(18)23-14-20(26)24-17-12-10-15(11-13-17)21(27)25-16-6-2-1-3-7-16/h4-5,8-13,16,23H,1-3,6-7,14H2,(H,24,26)(H,25,27)
InChIKeyDCTTZFJXHHEYME-UHFFFAOYSA-N
XLogP4.56
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.35
LogP ≤ 54.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-[4-(cyclohexylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54811917
N-cyclohexyl-4-[[2-(2,3-dimethylanilino)acetyl]amino]benzamide
CID 54816101
4-[[2-(3-chloro-2-methylanilino)acetyl]amino]-N-cyclohexylbenzamide
CID 54814827
3-[[2-(2-bromoanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide
CID 54830996
N-cyclohexyl-4-[[2-(3-methylanilino)acetyl]amino]benzamide
CID 54810258
N-cyclohexyl-4-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzamide
CID 54829639
4-[[2-(cyclohexylamino)acetyl]amino]-N-cyclopropylbenzamide
CID 1442013
4-[[2-(2-bromoanilino)acetyl]amino]-N-butylbenzamide
CID 54816290
N,N'-bis[4-(cyclohexylcarbamoyl)phenyl]hexanediamide
CID 43878588
N-cyclohexyl-4-(propanoylamino)benzamide
CID 977209
4-[[2-(3-acetamidoanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide
CID 54844186
4-[[2-(3-chloro-4-methylanilino)acetyl]amino]-N-cyclohexylbenzamide
CID 54816004

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-bromoanilino)acetyl]amino]-N-cyclohexylbenzamide?
The IUPAC name of 4-[[2-(2-bromoanilino)acetyl]amino]-N-cyclohexylbenzamide (CID 54816658) is 4-[[2-(2-bromoanilino)acetyl]amino]-N-cyclohexylbenzamide.
What is the SMILES notation for 4-[[2-(2-bromoanilino)acetyl]amino]-N-cyclohexylbenzamide?
The canonical SMILES for 4-[[2-(2-bromoanilino)acetyl]amino]-N-cyclohexylbenzamide is O=C(CNc1ccccc1Br)Nc1ccc(C(=O)NC2CCCCC2)cc1.
What is the InChIKey of 4-[[2-(2-bromoanilino)acetyl]amino]-N-cyclohexylbenzamide?
The InChIKey is DCTTZFJXHHEYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24BrN3O2/c22-18-8-4-5-9-19(18)23-14-20(26)24-17-12-10-15(11-13-17)21(27)25-16-6-2-1-3-7-16/h4-5,8-13,16,23H,1-3,6-7,14H2,(H,24,26)(H,25,27).
What are the key properties of 4-[[2-(2-bromoanilino)acetyl]amino]-N-cyclohexylbenzamide?
4-[[2-(2-bromoanilino)acetyl]amino]-N-cyclohexylbenzamide has a molecular weight of 430.35 g/mol, XLogP of 4.56, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-bromoanilino)acetyl]amino]-N-cyclohexylbenzamide is sourced from PubChem (CID 54816658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).