3-amino-N-[(4-bromophenyl)methyl]cyclohexane-1-carboxamide

C14H19BrN2O — CID 63041803

IUPAC3-amino-N-[(4-bromophenyl)methyl]cyclohexane-1-carboxamide
SMILESNC1CCCC(C(=O)NCc2ccc(Br)cc2)C1
InChIInChI=1S/C14H19BrN2O/c15-12-6-4-10(5-7-12)9-17-14(18)11-2-1-3-13(16)8-11/h4-7,11,13H,1-3,8-9,16H2,(H,17,18)
InChIKeyYBUWFJQTWXDLCR-UHFFFAOYSA-N
MW311.22 g/mol
LogP2.58
Rot. Bonds3

About 3-amino-N-[(4-bromophenyl)methyl]cyclohexane-1-carboxamide

3-amino-N-[(4-bromophenyl)methyl]cyclohexane-1-carboxamide (PubChem CID 63041803) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is 3-amino-N-[(4-bromophenyl)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(4-bromophenyl)methyl]cyclohexane-1-carboxamide
PubChem CID63041803
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC Name3-amino-N-[(4-bromophenyl)methyl]cyclohexane-1-carboxamide
SMILESNC1CCCC(C(=O)NCc2ccc(Br)cc2)C1
InChIInChI=1S/C14H19BrN2O/c15-12-6-4-10(5-7-12)9-17-14(18)11-2-1-3-13(16)8-11/h4-7,11,13H,1-3,8-9,16H2,(H,17,18)
InChIKeyYBUWFJQTWXDLCR-UHFFFAOYSA-N
XLogP2.58
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 ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[(4-bromophenyl)methyl]cyclopentane-1-carboxamide
CID 66030877
3-amino-N-[(4-bromophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119702505
3-amino-N-[(4-fluorophenyl)methyl]cyclohexane-1-carboxamide
CID 55146737
3-amino-N-benzylcyclohexane-1-carboxamide;hydrochloride
CID 119669914
3-amino-N-[(4-nitrophenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119708431
3-amino-N-[(4-bromo-2-chlorophenyl)methyl]cyclohexane-1-carboxamide
CID 119753669
3-amino-N-[2-(4-bromoanilino)-2-oxoethyl]cyclohexane-1-carboxamide
CID 119738004
3-amino-N-[[4-(difluoromethoxy)phenyl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119689646
3-[(4-bromophenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103549862
3-amino-N-[4-[(carbamoylamino)methyl]phenyl]cyclohexane-1-carboxamide
CID 119757601
3-amino-N-[(4-methylphenyl)methyl]cyclopentane-1-carboxamide
CID 66033053
3-amino-N-[(4-phenylmethoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119712143

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(4-bromophenyl)methyl]cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-[(4-bromophenyl)methyl]cyclohexane-1-carboxamide (CID 63041803) is 3-amino-N-[(4-bromophenyl)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[(4-bromophenyl)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-[(4-bromophenyl)methyl]cyclohexane-1-carboxamide is NC1CCCC(C(=O)NCc2ccc(Br)cc2)C1.
What is the InChIKey of 3-amino-N-[(4-bromophenyl)methyl]cyclohexane-1-carboxamide?
The InChIKey is YBUWFJQTWXDLCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O/c15-12-6-4-10(5-7-12)9-17-14(18)11-2-1-3-13(16)8-11/h4-7,11,13H,1-3,8-9,16H2,(H,17,18).
What are the key properties of 3-amino-N-[(4-bromophenyl)methyl]cyclohexane-1-carboxamide?
3-amino-N-[(4-bromophenyl)methyl]cyclohexane-1-carboxamide has a molecular weight of 311.22 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(4-bromophenyl)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 63041803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).