2-(aminomethyl)-N-(2-bromo-5-methylphenyl)cyclopentane-1-carboxamide

C14H19BrN2O — CID 82756721

IUPAC2-(aminomethyl)-N-(2-bromo-5-methylphenyl)cyclopentane-1-carboxamide
SMILESCc1ccc(Br)c(NC(=O)C2CCCC2CN)c1
InChIInChI=1S/C14H19BrN2O/c1-9-5-6-12(15)13(7-9)17-14(18)11-4-2-3-10(11)8-16/h5-7,10-11H,2-4,8,16H2,1H3,(H,17,18)
InChIKeyNVUOGWMEWDTLAB-UHFFFAOYSA-N
MW311.22 g/mol
LogP3.07
Rot. Bonds3

About 2-(aminomethyl)-N-(2-bromo-5-methylphenyl)cyclopentane-1-carboxamide

2-(aminomethyl)-N-(2-bromo-5-methylphenyl)cyclopentane-1-carboxamide (PubChem CID 82756721) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(2-bromo-5-methylphenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(2-bromo-5-methylphenyl)cyclopentane-1-carboxamide
PubChem CID82756721
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC Name2-(aminomethyl)-N-(2-bromo-5-methylphenyl)cyclopentane-1-carboxamide
SMILESCc1ccc(Br)c(NC(=O)C2CCCC2CN)c1
InChIInChI=1S/C14H19BrN2O/c1-9-5-6-12(15)13(7-9)17-14(18)11-4-2-3-10(11)8-16/h5-7,10-11H,2-4,8,16H2,1H3,(H,17,18)
InChIKeyNVUOGWMEWDTLAB-UHFFFAOYSA-N
XLogP3.07
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 ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-N-(2-chloro-5-methylphenyl)cyclopentane-1-carboxamide
CID 113269199
2-(aminomethyl)-N-(4-bromo-2,3-dichlorophenyl)cyclopentane-1-carboxamide
CID 107790344
2-(aminomethyl)-N-(3-bromo-5-methylphenyl)cyclohexane-1-carboxamide
CID 107583536
2-(aminomethyl)-N-(2-methyl-3-pyridinyl)cyclopentane-1-carboxamide
CID 79043281
2-(aminomethyl)-N-(4-bromo-3-methoxyphenyl)cyclohexane-1-carboxamide
CID 82868300
(2-bromo-5-methylphenyl)urea
CID 82707313
2-[(2-bromo-5-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 82766632
1-(2-bromo-5-methylphenyl)-2-cyclopropylguanidine
CID 82758985
2-amino-N-(2,4-dimethylphenyl)cyclopentane-1-carboxamide
CID 64816599
(2S)-N-(2-bromo-5-methylphenyl)piperidine-2-carboxamide
CID 104914544
3-[(2-aminocyclopentanecarbonyl)amino]-4-bromobenzoic acid
CID 107813555
N-(2-bromo-5-methylphenyl)bicyclo[3.1.0]hexane-3-carboxamide
CID 82756821

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(2-bromo-5-methylphenyl)cyclopentane-1-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-(2-bromo-5-methylphenyl)cyclopentane-1-carboxamide (CID 82756721) is 2-(aminomethyl)-N-(2-bromo-5-methylphenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-(2-bromo-5-methylphenyl)cyclopentane-1-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-(2-bromo-5-methylphenyl)cyclopentane-1-carboxamide is Cc1ccc(Br)c(NC(=O)C2CCCC2CN)c1.
What is the InChIKey of 2-(aminomethyl)-N-(2-bromo-5-methylphenyl)cyclopentane-1-carboxamide?
The InChIKey is NVUOGWMEWDTLAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O/c1-9-5-6-12(15)13(7-9)17-14(18)11-4-2-3-10(11)8-16/h5-7,10-11H,2-4,8,16H2,1H3,(H,17,18).
What are the key properties of 2-(aminomethyl)-N-(2-bromo-5-methylphenyl)cyclopentane-1-carboxamide?
2-(aminomethyl)-N-(2-bromo-5-methylphenyl)cyclopentane-1-carboxamide has a molecular weight of 311.22 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(2-bromo-5-methylphenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 82756721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).