N-(2-amino-4-bromophenyl)-2-cyclohexylacetamide

C14H19BrN2O — CID 43130499

IUPACN-(2-amino-4-bromophenyl)-2-cyclohexylacetamide
SMILESNc1cc(Br)ccc1NC(=O)CC1CCCCC1
InChIInChI=1S/C14H19BrN2O/c15-11-6-7-13(12(16)9-11)17-14(18)8-10-4-2-1-3-5-10/h6-7,9-10H,1-5,8,16H2,(H,17,18)
InChIKeyOKWRBBFUPZWCPH-UHFFFAOYSA-N
MW311.22 g/mol
LogP3.94
Rot. Bonds3

About N-(2-amino-4-bromophenyl)-2-cyclohexylacetamide

N-(2-amino-4-bromophenyl)-2-cyclohexylacetamide (PubChem CID 43130499) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is N-(2-amino-4-bromophenyl)-2-cyclohexylacetamide.

Molecular Properties

Compound NameN-(2-amino-4-bromophenyl)-2-cyclohexylacetamide
PubChem CID43130499
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC NameN-(2-amino-4-bromophenyl)-2-cyclohexylacetamide
SMILESNc1cc(Br)ccc1NC(=O)CC1CCCCC1
InChIInChI=1S/C14H19BrN2O/c15-11-6-7-13(12(16)9-11)17-14(18)8-10-4-2-1-3-5-10/h6-7,9-10H,1-5,8,16H2,(H,17,18)
InChIKeyOKWRBBFUPZWCPH-UHFFFAOYSA-N
XLogP3.94
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromo-2-fluorophenyl)-2-cycloheptylacetamide
CID 114457942
N-(2-amino-4-methoxyphenyl)-2-cycloheptylacetamide
CID 114457002
N-(2-amino-5-chlorophenyl)-2-cycloheptylacetamide
CID 114457006
N-(2-aminophenyl)-2-cyclopentylacetamide;hydrochloride
CID 119259903
N-(4-amino-2-chlorophenyl)-2-cyclohexylacetamide
CID 28776891
N-(2-amino-4-bromo-6-methylphenyl)-2-cycloheptylacetamide
CID 114457042
N-(2-amino-4-bromophenyl)-2-chloroacetamide
CID 66911433
N-(5-bromo-2-chlorophenyl)-2-cyclobutylacetamide
CID 103707266
[2-(4-bromo-2-methylanilino)-2-oxoethyl] 2-cyclohexylacetate
CID 46794459
5-bromo-2-[(2-cyclopropylacetyl)amino]benzoic acid
CID 62074315
N-(5-amino-2-chlorophenyl)-2-cyclohexylacetamide
CID 43548756
N-(3-amino-2-chlorophenyl)-2-cyclohexylacetamide
CID 114270030

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-bromophenyl)-2-cyclohexylacetamide?
The IUPAC name of N-(2-amino-4-bromophenyl)-2-cyclohexylacetamide (CID 43130499) is N-(2-amino-4-bromophenyl)-2-cyclohexylacetamide.
What is the SMILES notation for N-(2-amino-4-bromophenyl)-2-cyclohexylacetamide?
The canonical SMILES for N-(2-amino-4-bromophenyl)-2-cyclohexylacetamide is Nc1cc(Br)ccc1NC(=O)CC1CCCCC1.
What is the InChIKey of N-(2-amino-4-bromophenyl)-2-cyclohexylacetamide?
The InChIKey is OKWRBBFUPZWCPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O/c15-11-6-7-13(12(16)9-11)17-14(18)8-10-4-2-1-3-5-10/h6-7,9-10H,1-5,8,16H2,(H,17,18).
What are the key properties of N-(2-amino-4-bromophenyl)-2-cyclohexylacetamide?
N-(2-amino-4-bromophenyl)-2-cyclohexylacetamide has a molecular weight of 311.22 g/mol, XLogP of 3.94, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-bromophenyl)-2-cyclohexylacetamide is sourced from PubChem (CID 43130499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).