2-amino-N-[2-(4-bromophenyl)propan-2-yl]cyclohexane-1-carboxamide

C16H23BrN2O — CID 64822736

IUPAC2-amino-N-[2-(4-bromophenyl)propan-2-yl]cyclohexane-1-carboxamide
SMILESCC(C)(NC(=O)C1CCCCC1N)c1ccc(Br)cc1
InChIInChI=1S/C16H23BrN2O/c1-16(2,11-7-9-12(17)10-8-11)19-15(20)13-5-3-4-6-14(13)18/h7-10,13-14H,3-6,18H2,1-2H3,(H,19,20)
InChIKeyWYSZTJGGEDLCMF-UHFFFAOYSA-N
MW339.28 g/mol
LogP3.32
Rot. Bonds3

About 2-amino-N-[2-(4-bromophenyl)propan-2-yl]cyclohexane-1-carboxamide

2-amino-N-[2-(4-bromophenyl)propan-2-yl]cyclohexane-1-carboxamide (PubChem CID 64822736) has the molecular formula C16H23BrN2O and a molecular weight of 339.28 g/mol. Its IUPAC name is 2-amino-N-[2-(4-bromophenyl)propan-2-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-[2-(4-bromophenyl)propan-2-yl]cyclohexane-1-carboxamide
PubChem CID64822736
Molecular FormulaC16H23BrN2O
Molecular Weight339.28 g/mol
Exact Mass338.10
IUPAC Name2-amino-N-[2-(4-bromophenyl)propan-2-yl]cyclohexane-1-carboxamide
SMILESCC(C)(NC(=O)C1CCCCC1N)c1ccc(Br)cc1
InChIInChI=1S/C16H23BrN2O/c1-16(2,11-7-9-12(17)10-8-11)19-15(20)13-5-3-4-6-14(13)18/h7-10,13-14H,3-6,18H2,1-2H3,(H,19,20)
InChIKeyWYSZTJGGEDLCMF-UHFFFAOYSA-N
XLogP3.32
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.28
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(4-bromophenyl)cyclohexane-1-carboxamide
CID 64816780
4-(aminomethyl)-N-[2-(4-bromophenyl)propan-2-yl]cyclohexane-1-carboxamide
CID 79511570
2-amino-N-(4-bromophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670339
N-[2-(4-bromophenyl)propan-2-yl]-2-methylpiperidine-4-carboxamide
CID 106738889
2-amino-N-(3-hydroxy-2,3-dimethylbutan-2-yl)cyclohexane-1-carboxamide
CID 106188264
2-amino-N-(3-hydroxy-2,3-dimethylbutan-2-yl)cycloheptane-1-carboxamide
CID 106188227
N-[2-(4-bromophenyl)propan-2-yl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102890840
N-[2-(4-bromophenyl)propan-2-yl]-2,2-dimethylpropanamide
CID 64593022
(2-aminocycloheptyl)-(4-tert-butylphenyl)methanone
CID 116595307
2-amino-N-(5-bromo-2-fluorophenyl)cyclohexane-1-carboxamide
CID 64824097
N-[2-(4-bromophenyl)propan-2-yl]-2,2-difluoroacetamide
CID 103515044
(2R)-2-amino-N-[2-(4-bromophenyl)propan-2-yl]-3,3-dimethylbutanamide
CID 103928581

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(4-bromophenyl)propan-2-yl]cyclohexane-1-carboxamide?
The IUPAC name of 2-amino-N-[2-(4-bromophenyl)propan-2-yl]cyclohexane-1-carboxamide (CID 64822736) is 2-amino-N-[2-(4-bromophenyl)propan-2-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 2-amino-N-[2-(4-bromophenyl)propan-2-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 2-amino-N-[2-(4-bromophenyl)propan-2-yl]cyclohexane-1-carboxamide is CC(C)(NC(=O)C1CCCCC1N)c1ccc(Br)cc1.
What is the InChIKey of 2-amino-N-[2-(4-bromophenyl)propan-2-yl]cyclohexane-1-carboxamide?
The InChIKey is WYSZTJGGEDLCMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O/c1-16(2,11-7-9-12(17)10-8-11)19-15(20)13-5-3-4-6-14(13)18/h7-10,13-14H,3-6,18H2,1-2H3,(H,19,20).
What are the key properties of 2-amino-N-[2-(4-bromophenyl)propan-2-yl]cyclohexane-1-carboxamide?
2-amino-N-[2-(4-bromophenyl)propan-2-yl]cyclohexane-1-carboxamide has a molecular weight of 339.28 g/mol, XLogP of 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(4-bromophenyl)propan-2-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 64822736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).