3-amino-N-(4-bromo-2-methoxy-6-methylphenyl)cyclopentane-1-carboxamide

C14H19BrN2O2 — CID 66009992

IUPAC3-amino-N-(4-bromo-2-methoxy-6-methylphenyl)cyclopentane-1-carboxamide
SMILESCOc1cc(Br)cc(C)c1NC(=O)C1CCC(N)C1
InChIInChI=1S/C14H19BrN2O2/c1-8-5-10(15)7-12(19-2)13(8)17-14(18)9-3-4-11(16)6-9/h5,7,9,11H,3-4,6,16H2,1-2H3,(H,17,18)
InChIKeyMFFMJDLTCYIAAO-UHFFFAOYSA-N
MW327.22 g/mol
LogP2.83
Rot. Bonds3

About 3-amino-N-(4-bromo-2-methoxy-6-methylphenyl)cyclopentane-1-carboxamide

3-amino-N-(4-bromo-2-methoxy-6-methylphenyl)cyclopentane-1-carboxamide (PubChem CID 66009992) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is 3-amino-N-(4-bromo-2-methoxy-6-methylphenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-(4-bromo-2-methoxy-6-methylphenyl)cyclopentane-1-carboxamide
PubChem CID66009992
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC Name3-amino-N-(4-bromo-2-methoxy-6-methylphenyl)cyclopentane-1-carboxamide
SMILESCOc1cc(Br)cc(C)c1NC(=O)C1CCC(N)C1
InChIInChI=1S/C14H19BrN2O2/c1-8-5-10(15)7-12(19-2)13(8)17-14(18)9-3-4-11(16)6-9/h5,7,9,11H,3-4,6,16H2,1-2H3,(H,17,18)
InChIKeyMFFMJDLTCYIAAO-UHFFFAOYSA-N
XLogP2.83
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(4,5-dimethoxy-2-methylphenyl)cyclopentane-1-carboxamide
CID 66009354
3-amino-N-(4-methoxy-2,3,6-trimethylphenyl)cyclobutane-1-carboxamide
CID 115161356
1-[(4-bromo-2-methoxy-6-methylphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 122077474
3-amino-N-[4-(carbamoylamino)-3-methoxyphenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119779701
(2S)-2-amino-N-(4-bromo-2-methoxy-6-methylphenyl)propanamide
CID 61147133
3-amino-N-(3-chloro-4-methoxyphenyl)cyclopentane-1-carboxamide
CID 66030670
N-(4-acetamido-3-methoxyphenyl)-3-aminocyclopentane-1-carboxamide
CID 66030500
3-amino-N-[2-(difluoromethoxy)-6-methylphenyl]cyclopentane-1-carboxamide
CID 119764632
3-amino-N-(3,4-dimethylphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670627
3-amino-N-(2,4,6-trimethylphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119670922
N-(4-bromo-2-methoxy-6-methylphenyl)-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 60581329
3-amino-N-(2-bromo-5-methoxyphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119752414

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-bromo-2-methoxy-6-methylphenyl)cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-(4-bromo-2-methoxy-6-methylphenyl)cyclopentane-1-carboxamide (CID 66009992) is 3-amino-N-(4-bromo-2-methoxy-6-methylphenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-(4-bromo-2-methoxy-6-methylphenyl)cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-(4-bromo-2-methoxy-6-methylphenyl)cyclopentane-1-carboxamide is COc1cc(Br)cc(C)c1NC(=O)C1CCC(N)C1.
What is the InChIKey of 3-amino-N-(4-bromo-2-methoxy-6-methylphenyl)cyclopentane-1-carboxamide?
The InChIKey is MFFMJDLTCYIAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c1-8-5-10(15)7-12(19-2)13(8)17-14(18)9-3-4-11(16)6-9/h5,7,9,11H,3-4,6,16H2,1-2H3,(H,17,18).
What are the key properties of 3-amino-N-(4-bromo-2-methoxy-6-methylphenyl)cyclopentane-1-carboxamide?
3-amino-N-(4-bromo-2-methoxy-6-methylphenyl)cyclopentane-1-carboxamide has a molecular weight of 327.22 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-bromo-2-methoxy-6-methylphenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 66009992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).