3-amino-N-(4-bromo-3-methylphenyl)cyclohexane-1-carboxamide

C14H19BrN2O — CID 63042324

IUPAC3-amino-N-(4-bromo-3-methylphenyl)cyclohexane-1-carboxamide
SMILESCc1cc(NC(=O)C2CCCC(N)C2)ccc1Br
InChIInChI=1S/C14H19BrN2O/c1-9-7-12(5-6-13(9)15)17-14(18)10-3-2-4-11(16)8-10/h5-7,10-11H,2-4,8,16H2,1H3,(H,17,18)
InChIKeyZIMIOAULJWUIEJ-UHFFFAOYSA-N
MW311.22 g/mol
LogP3.21
Rot. Bonds2

About 3-amino-N-(4-bromo-3-methylphenyl)cyclohexane-1-carboxamide

3-amino-N-(4-bromo-3-methylphenyl)cyclohexane-1-carboxamide (PubChem CID 63042324) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is 3-amino-N-(4-bromo-3-methylphenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-(4-bromo-3-methylphenyl)cyclohexane-1-carboxamide
PubChem CID63042324
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC Name3-amino-N-(4-bromo-3-methylphenyl)cyclohexane-1-carboxamide
SMILESCc1cc(NC(=O)C2CCCC(N)C2)ccc1Br
InChIInChI=1S/C14H19BrN2O/c1-9-7-12(5-6-13(9)15)17-14(18)10-3-2-4-11(16)8-10/h5-7,10-11H,2-4,8,16H2,1H3,(H,17,18)
InChIKeyZIMIOAULJWUIEJ-UHFFFAOYSA-N
XLogP3.21
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-3-methylphenyl)cyclohexanecarboxamide
CID 766715
3-amino-N-(4-bromo-3-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119706250
3-amino-N-(3,5-dimethylphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119673929
3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide
CID 119700137
3-amino-N-(3,4-dimethylphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670627
N-(5-acetamido-2-methylphenyl)-3-aminocyclohexane-1-carboxamide
CID 63043939
3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119700136
3-amino-N-(2,6-dibromo-4-methylphenyl)cyclohexane-1-carboxamide
CID 63041984
3-amino-N-(4-bromo-2-methylphenyl)cyclohexane-1-carboxamide
CID 63042143
3-amino-N-naphthalen-2-ylcyclohexane-1-carboxamide
CID 63043411
3-amino-N-[3-(cyclopropylsulfamoyl)-4-methylphenyl]cyclohexane-1-carboxamide
CID 119797379
3-amino-N-[4-(propanoylamino)phenyl]cyclohexane-1-carboxamide
CID 63044136

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-bromo-3-methylphenyl)cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-(4-bromo-3-methylphenyl)cyclohexane-1-carboxamide (CID 63042324) is 3-amino-N-(4-bromo-3-methylphenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-(4-bromo-3-methylphenyl)cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-(4-bromo-3-methylphenyl)cyclohexane-1-carboxamide is Cc1cc(NC(=O)C2CCCC(N)C2)ccc1Br.
What is the InChIKey of 3-amino-N-(4-bromo-3-methylphenyl)cyclohexane-1-carboxamide?
The InChIKey is ZIMIOAULJWUIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O/c1-9-7-12(5-6-13(9)15)17-14(18)10-3-2-4-11(16)8-10/h5-7,10-11H,2-4,8,16H2,1H3,(H,17,18).
What are the key properties of 3-amino-N-(4-bromo-3-methylphenyl)cyclohexane-1-carboxamide?
3-amino-N-(4-bromo-3-methylphenyl)cyclohexane-1-carboxamide has a molecular weight of 311.22 g/mol, XLogP of 3.21, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-bromo-3-methylphenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 63042324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).