3-amino-N-[2-(4-bromoanilino)-2-oxoethyl]cyclohexane-1-carboxamide

C15H20BrN3O2 — CID 119738004

IUPAC3-amino-N-[2-(4-bromoanilino)-2-oxoethyl]cyclohexane-1-carboxamide
SMILESNC1CCCC(C(=O)NCC(=O)Nc2ccc(Br)cc2)C1
InChIInChI=1S/C15H20BrN3O2/c16-11-4-6-13(7-5-11)19-14(20)9-18-15(21)10-2-1-3-12(17)8-10/h4-7,10,12H,1-3,8-9,17H2,(H,18,21)(H,19,20)
InChIKeyINGOCLQXODEZKL-UHFFFAOYSA-N
MW354.25 g/mol
LogP2.02
Rot. Bonds4

About 3-amino-N-[2-(4-bromoanilino)-2-oxoethyl]cyclohexane-1-carboxamide

3-amino-N-[2-(4-bromoanilino)-2-oxoethyl]cyclohexane-1-carboxamide (PubChem CID 119738004) has the molecular formula C15H20BrN3O2 and a molecular weight of 354.25 g/mol. Its IUPAC name is 3-amino-N-[2-(4-bromoanilino)-2-oxoethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-(4-bromoanilino)-2-oxoethyl]cyclohexane-1-carboxamide
PubChem CID119738004
Molecular FormulaC15H20BrN3O2
Molecular Weight354.25 g/mol
Exact Mass353.07
IUPAC Name3-amino-N-[2-(4-bromoanilino)-2-oxoethyl]cyclohexane-1-carboxamide
SMILESNC1CCCC(C(=O)NCC(=O)Nc2ccc(Br)cc2)C1
InChIInChI=1S/C15H20BrN3O2/c16-11-4-6-13(7-5-11)19-14(20)9-18-15(21)10-2-1-3-12(17)8-10/h4-7,10,12H,1-3,8-9,17H2,(H,18,21)(H,19,20)
InChIKeyINGOCLQXODEZKL-UHFFFAOYSA-N
XLogP2.02
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.25
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[2-(4-chloroanilino)-2-oxoethyl]cyclohexane-1-carboxamide
CID 119747250
3-amino-N-(2-anilino-2-oxoethyl)cyclohexane-1-carboxamide;hydrochloride
CID 119738339
3-amino-N-[2-(5-bromo-2-methylanilino)-2-oxoethyl]cyclohexane-1-carboxamide
CID 119762950
3-amino-N-[(4-bromophenyl)methyl]cyclohexane-1-carboxamide
CID 63041803
3-amino-N-[4-(propanoylamino)phenyl]cyclohexane-1-carboxamide
CID 63044136
3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide
CID 119700137
3-amino-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]cyclopentane-1-carboxamide
CID 119685455
3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119700136
N-[2-(4-bromoanilino)-2-oxoethyl]oxolane-2-carboxamide
CID 47309395
N-[2-(4-acetamidophenyl)ethyl]-3-aminocyclohexane-1-carboxamide
CID 119755530
3-amino-N-(4-bromo-3-methylphenyl)cyclohexane-1-carboxamide
CID 63042324
3-amino-N-(4-bromo-2-methylphenyl)cyclohexane-1-carboxamide
CID 63042143

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(4-bromoanilino)-2-oxoethyl]cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-[2-(4-bromoanilino)-2-oxoethyl]cyclohexane-1-carboxamide (CID 119738004) is 3-amino-N-[2-(4-bromoanilino)-2-oxoethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[2-(4-bromoanilino)-2-oxoethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-[2-(4-bromoanilino)-2-oxoethyl]cyclohexane-1-carboxamide is NC1CCCC(C(=O)NCC(=O)Nc2ccc(Br)cc2)C1.
What is the InChIKey of 3-amino-N-[2-(4-bromoanilino)-2-oxoethyl]cyclohexane-1-carboxamide?
The InChIKey is INGOCLQXODEZKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O2/c16-11-4-6-13(7-5-11)19-14(20)9-18-15(21)10-2-1-3-12(17)8-10/h4-7,10,12H,1-3,8-9,17H2,(H,18,21)(H,19,20).
What are the key properties of 3-amino-N-[2-(4-bromoanilino)-2-oxoethyl]cyclohexane-1-carboxamide?
3-amino-N-[2-(4-bromoanilino)-2-oxoethyl]cyclohexane-1-carboxamide has a molecular weight of 354.25 g/mol, XLogP of 2.02, 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-(4-bromoanilino)-2-oxoethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 119738004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).