3-amino-N-[2-(5-bromo-2-methylanilino)-2-oxoethyl]cyclohexane-1-carboxamide

C16H22BrN3O2 — CID 119762950

IUPAC3-amino-N-[2-(5-bromo-2-methylanilino)-2-oxoethyl]cyclohexane-1-carboxamide
SMILESCc1ccc(Br)cc1NC(=O)CNC(=O)C1CCCC(N)C1
InChIInChI=1S/C16H22BrN3O2/c1-10-5-6-12(17)8-14(10)20-15(21)9-19-16(22)11-3-2-4-13(18)7-11/h5-6,8,11,13H,2-4,7,9,18H2,1H3,(H,19,22)(H,20,21)
InChIKeyWUKYSTZYIYMYLO-UHFFFAOYSA-N
MW368.28 g/mol
LogP2.33
Rot. Bonds4

About 3-amino-N-[2-(5-bromo-2-methylanilino)-2-oxoethyl]cyclohexane-1-carboxamide

3-amino-N-[2-(5-bromo-2-methylanilino)-2-oxoethyl]cyclohexane-1-carboxamide (PubChem CID 119762950) has the molecular formula C16H22BrN3O2 and a molecular weight of 368.28 g/mol. Its IUPAC name is 3-amino-N-[2-(5-bromo-2-methylanilino)-2-oxoethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-(5-bromo-2-methylanilino)-2-oxoethyl]cyclohexane-1-carboxamide
PubChem CID119762950
Molecular FormulaC16H22BrN3O2
Molecular Weight368.28 g/mol
Exact Mass367.09
IUPAC Name3-amino-N-[2-(5-bromo-2-methylanilino)-2-oxoethyl]cyclohexane-1-carboxamide
SMILESCc1ccc(Br)cc1NC(=O)CNC(=O)C1CCCC(N)C1
InChIInChI=1S/C16H22BrN3O2/c1-10-5-6-12(17)8-14(10)20-15(21)9-19-16(22)11-3-2-4-13(18)7-11/h5-6,8,11,13H,2-4,7,9,18H2,1H3,(H,19,22)(H,20,21)
InChIKeyWUKYSTZYIYMYLO-UHFFFAOYSA-N
XLogP2.33
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.28
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]cyclopentane-1-carboxamide
CID 119685455
3-amino-N-[2-(4-bromoanilino)-2-oxoethyl]cyclohexane-1-carboxamide
CID 119738004
(2S,4S)-N-[2-(5-bromo-2-methylanilino)-2-oxoethyl]-2-methylpiperidine-4-carboxamide
CID 120629339
N-[2-(5-bromo-2-methylanilino)-2-oxoethyl]piperidine-3-carboxamide;hydrochloride
CID 119311546
3-amino-N-(4-bromo-2-methylphenyl)cyclohexane-1-carboxamide
CID 63042143
N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]cyclobutanecarboxamide
CID 112998029
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]cyclopropanecarboxamide
CID 27781440
3-amino-N-(2-anilino-2-oxoethyl)cyclohexane-1-carboxamide;hydrochloride
CID 119738339
N-(5-acetamido-2-methylphenyl)-3-aminocyclohexane-1-carboxamide
CID 63043939
3-amino-N-[2-(4-chloroanilino)-2-oxoethyl]cyclohexane-1-carboxamide
CID 119747250
(2S,4S)-N-[3-(5-bromo-2-methylanilino)-3-oxopropyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120629529
3-amino-N-[(4-bromophenyl)methyl]cyclohexane-1-carboxamide
CID 63041803

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(5-bromo-2-methylanilino)-2-oxoethyl]cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-[2-(5-bromo-2-methylanilino)-2-oxoethyl]cyclohexane-1-carboxamide (CID 119762950) is 3-amino-N-[2-(5-bromo-2-methylanilino)-2-oxoethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[2-(5-bromo-2-methylanilino)-2-oxoethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-[2-(5-bromo-2-methylanilino)-2-oxoethyl]cyclohexane-1-carboxamide is Cc1ccc(Br)cc1NC(=O)CNC(=O)C1CCCC(N)C1.
What is the InChIKey of 3-amino-N-[2-(5-bromo-2-methylanilino)-2-oxoethyl]cyclohexane-1-carboxamide?
The InChIKey is WUKYSTZYIYMYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrN3O2/c1-10-5-6-12(17)8-14(10)20-15(21)9-19-16(22)11-3-2-4-13(18)7-11/h5-6,8,11,13H,2-4,7,9,18H2,1H3,(H,19,22)(H,20,21).
What are the key properties of 3-amino-N-[2-(5-bromo-2-methylanilino)-2-oxoethyl]cyclohexane-1-carboxamide?
3-amino-N-[2-(5-bromo-2-methylanilino)-2-oxoethyl]cyclohexane-1-carboxamide has a molecular weight of 368.28 g/mol, XLogP of 2.33, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(5-bromo-2-methylanilino)-2-oxoethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 119762950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).