2-(aminomethyl)-N-(4-bromo-2,3-dichlorophenyl)cyclopentane-1-carboxamide

C13H15BrCl2N2O — CID 107790344

IUPAC2-(aminomethyl)-N-(4-bromo-2,3-dichlorophenyl)cyclopentane-1-carboxamide
SMILESNCC1CCCC1C(=O)Nc1ccc(Br)c(Cl)c1Cl
InChIInChI=1S/C13H15BrCl2N2O/c14-9-4-5-10(12(16)11(9)15)18-13(19)8-3-1-2-7(8)6-17/h4-5,7-8H,1-3,6,17H2,(H,18,19)
InChIKeyWNNHADUMZYBAPL-UHFFFAOYSA-N
MW366.09 g/mol
LogP4.07
Rot. Bonds3

About 2-(aminomethyl)-N-(4-bromo-2,3-dichlorophenyl)cyclopentane-1-carboxamide

2-(aminomethyl)-N-(4-bromo-2,3-dichlorophenyl)cyclopentane-1-carboxamide (PubChem CID 107790344) has the molecular formula C13H15BrCl2N2O and a molecular weight of 366.09 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(4-bromo-2,3-dichlorophenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(4-bromo-2,3-dichlorophenyl)cyclopentane-1-carboxamide
PubChem CID107790344
Molecular FormulaC13H15BrCl2N2O
Molecular Weight366.09 g/mol
Exact Mass363.97
IUPAC Name2-(aminomethyl)-N-(4-bromo-2,3-dichlorophenyl)cyclopentane-1-carboxamide
SMILESNCC1CCCC1C(=O)Nc1ccc(Br)c(Cl)c1Cl
InChIInChI=1S/C13H15BrCl2N2O/c14-9-4-5-10(12(16)11(9)15)18-13(19)8-3-1-2-7(8)6-17/h4-5,7-8H,1-3,6,17H2,(H,18,19)
InChIKeyWNNHADUMZYBAPL-UHFFFAOYSA-N
XLogP4.07
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.09
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-[(4-bromo-2,3-dichlorophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 104576281
2-(aminomethyl)-N-(2-bromo-5-methylphenyl)cyclopentane-1-carboxamide
CID 82756721
2-(aminomethyl)-N-(2-chloro-5-methylphenyl)cyclopentane-1-carboxamide
CID 113269199
N-(4-bromo-2,3-dichlorophenyl)-4-methylpyrrolidine-3-carboxamide
CID 107790239
2-(aminomethyl)-N-(2-methyl-3-pyridinyl)cyclopentane-1-carboxamide
CID 79043281
2-(aminomethyl)-N-(4-bromo-3-methoxyphenyl)cyclohexane-1-carboxamide
CID 82868300
3-amino-N-(4-bromo-2,3-dichlorophenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 107790133
2-(aminomethyl)-N-(3-chloro-4-hydroxyphenyl)cyclohexane-1-carboxamide
CID 107679848
2-(aminomethyl)-N-(5-bromo-3-pyridinyl)cyclopentane-1-carboxamide
CID 114222312
2-(aminomethyl)-N-(4-chloro-3-methoxyphenyl)cyclopentane-1-carboxamide
CID 107621850
N-(4-bromo-2,3-dichlorophenyl)acetamide
CID 22462548
2-(aminomethyl)-N-[(1R)-1-(2-bromophenyl)ethyl]cyclopentane-1-carboxamide
CID 81384002

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(4-bromo-2,3-dichlorophenyl)cyclopentane-1-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-(4-bromo-2,3-dichlorophenyl)cyclopentane-1-carboxamide (CID 107790344) is 2-(aminomethyl)-N-(4-bromo-2,3-dichlorophenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-(4-bromo-2,3-dichlorophenyl)cyclopentane-1-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-(4-bromo-2,3-dichlorophenyl)cyclopentane-1-carboxamide is NCC1CCCC1C(=O)Nc1ccc(Br)c(Cl)c1Cl.
What is the InChIKey of 2-(aminomethyl)-N-(4-bromo-2,3-dichlorophenyl)cyclopentane-1-carboxamide?
The InChIKey is WNNHADUMZYBAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrCl2N2O/c14-9-4-5-10(12(16)11(9)15)18-13(19)8-3-1-2-7(8)6-17/h4-5,7-8H,1-3,6,17H2,(H,18,19).
What are the key properties of 2-(aminomethyl)-N-(4-bromo-2,3-dichlorophenyl)cyclopentane-1-carboxamide?
2-(aminomethyl)-N-(4-bromo-2,3-dichlorophenyl)cyclopentane-1-carboxamide has a molecular weight of 366.09 g/mol, XLogP of 4.07, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(4-bromo-2,3-dichlorophenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 107790344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).