3-[[2-(2-bromoanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide

C21H24BrN3O2 — CID 54830996

IUPAC3-[[2-(2-bromoanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide
SMILESO=C(CNc1cccc(C(=O)NC2CCCCC2)c1)Nc1ccccc1Br
InChIInChI=1S/C21H24BrN3O2/c22-18-11-4-5-12-19(18)25-20(26)14-23-17-10-6-7-15(13-17)21(27)24-16-8-2-1-3-9-16/h4-7,10-13,16,23H,1-3,8-9,14H2,(H,24,27)(H,25,26)
InChIKeyBTBMKOUUAFFQQA-UHFFFAOYSA-N
MW430.35 g/mol
LogP4.56
Rot. Bonds6

About 3-[[2-(2-bromoanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide

3-[[2-(2-bromoanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide (PubChem CID 54830996) has the molecular formula C21H24BrN3O2 and a molecular weight of 430.35 g/mol. Its IUPAC name is 3-[[2-(2-bromoanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide.

Molecular Properties

Compound Name3-[[2-(2-bromoanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide
PubChem CID54830996
Molecular FormulaC21H24BrN3O2
Molecular Weight430.35 g/mol
Exact Mass429.11
IUPAC Name3-[[2-(2-bromoanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide
SMILESO=C(CNc1cccc(C(=O)NC2CCCCC2)c1)Nc1ccccc1Br
InChIInChI=1S/C21H24BrN3O2/c22-18-11-4-5-12-19(18)25-20(26)14-23-17-10-6-7-15(13-17)21(27)24-16-8-2-1-3-9-16/h4-7,10-13,16,23H,1-3,8-9,14H2,(H,24,27)(H,25,26)
InChIKeyBTBMKOUUAFFQQA-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

3-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide
CID 54831035
3-[[2-(3-benzamidoanilino)acetyl]amino]-N-cyclohexylbenzamide
CID 54839098
N-cyclohexyl-3-[[2-oxo-2-(2-phenylmethoxyanilino)ethyl]amino]benzamide
CID 54830968
4-[[2-(2-bromoanilino)acetyl]amino]-N-cyclohexylbenzamide
CID 54816658
N-cyclohexyl-3-[[2-[2-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide
CID 54831126
3-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide
CID 54831343
3-[[2-(2-bromoanilino)-2-oxoethyl]amino]benzamide
CID 54842256
3-[[2-[4-(butanoylamino)anilino]-2-oxoethyl]amino]-N-cyclohexylbenzamide
CID 54831098
N-cyclohexyl-4-[[2-(3-methylanilino)acetyl]amino]benzamide
CID 54810258
3-[[2-[3-(cyclohexylcarbamoyl)anilino]-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide
CID 54842054
N-cyclohexyl-3-[[2-(2,4,5-trichloroanilino)acetyl]amino]benzamide
CID 54816369
N-cyclohexyl-3-[[2-[3-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]benzamide
CID 54831160

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-bromoanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide?
The IUPAC name of 3-[[2-(2-bromoanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide (CID 54830996) is 3-[[2-(2-bromoanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide.
What is the SMILES notation for 3-[[2-(2-bromoanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide?
The canonical SMILES for 3-[[2-(2-bromoanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide is O=C(CNc1cccc(C(=O)NC2CCCCC2)c1)Nc1ccccc1Br.
What is the InChIKey of 3-[[2-(2-bromoanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide?
The InChIKey is BTBMKOUUAFFQQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24BrN3O2/c22-18-11-4-5-12-19(18)25-20(26)14-23-17-10-6-7-15(13-17)21(27)24-16-8-2-1-3-9-16/h4-7,10-13,16,23H,1-3,8-9,14H2,(H,24,27)(H,25,26).
What are the key properties of 3-[[2-(2-bromoanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide?
3-[[2-(2-bromoanilino)-2-oxoethyl]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 3-[[2-(2-bromoanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide is sourced from PubChem (CID 54830996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).