N-[2-(aminomethyl)cyclopentyl]-4-bromo-3-chloro-N-methylbenzamide

C14H18BrClN2O — CID 81295179

IUPACN-[2-(aminomethyl)cyclopentyl]-4-bromo-3-chloro-N-methylbenzamide
SMILESCN(C(=O)c1ccc(Br)c(Cl)c1)C1CCCC1CN
InChIInChI=1S/C14H18BrClN2O/c1-18(13-4-2-3-10(13)8-17)14(19)9-5-6-11(15)12(16)7-9/h5-7,10,13H,2-4,8,17H2,1H3
InChIKeyQRWWQVRBHDJACO-UHFFFAOYSA-N
MW345.67 g/mol
LogP3.30
Rot. Bonds3

About N-[2-(aminomethyl)cyclopentyl]-4-bromo-3-chloro-N-methylbenzamide

N-[2-(aminomethyl)cyclopentyl]-4-bromo-3-chloro-N-methylbenzamide (PubChem CID 81295179) has the molecular formula C14H18BrClN2O and a molecular weight of 345.67 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-4-bromo-3-chloro-N-methylbenzamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-4-bromo-3-chloro-N-methylbenzamide
PubChem CID81295179
Molecular FormulaC14H18BrClN2O
Molecular Weight345.67 g/mol
Exact Mass344.03
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-4-bromo-3-chloro-N-methylbenzamide
SMILESCN(C(=O)c1ccc(Br)c(Cl)c1)C1CCCC1CN
InChIInChI=1S/C14H18BrClN2O/c1-18(13-4-2-3-10(13)8-17)14(19)9-5-6-11(15)12(16)7-9/h5-7,10,13H,2-4,8,17H2,1H3
InChIKeyQRWWQVRBHDJACO-UHFFFAOYSA-N
XLogP3.30
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.67
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(aminomethyl)cyclohexyl]-4-bromo-3-chloro-N-ethylbenzamide
CID 81294148
N-[2-(aminomethyl)cyclohexyl]-3-chloro-4-fluoro-N-methylbenzamide
CID 82880142
N-[2-(aminomethyl)cyclopentyl]-2-bromo-N,5-dimethylbenzamide
CID 81112557
N-[2-(aminomethyl)cyclohexyl]-4-hydroxy-N,3-dimethylbenzamide
CID 107672133
N-(2-aminocyclohexyl)-3,4-dichloro-N-methylbenzamide
CID 54195832
4-bromo-3-chloro-N-cyclopentyl-N-[2-(dimethylamino)ethyl]benzamide
CID 80999167
4-bromo-3-chloro-N-methyl-N-(4-oxocyclohexyl)benzamide
CID 81296264
N-[2-(aminomethyl)cyclohexyl]-2,5-dibromo-N-methylthiophene-3-carboxamide
CID 107963621
4-bromo-3-chloro-N-methyl-N-(1-propylpiperidin-4-yl)benzamide
CID 80972236
4-bromo-3-chloro-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbenzamide
CID 81295054
methyl 2-[(4-bromo-3-chlorobenzoyl)-cyclopentylamino]acetate
CID 80998116
N-[2-(aminomethyl)cyclopentyl]-2-fluoro-4-hydroxy-N-methylbenzamide
CID 107677154

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-4-bromo-3-chloro-N-methylbenzamide?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-4-bromo-3-chloro-N-methylbenzamide (CID 81295179) is N-[2-(aminomethyl)cyclopentyl]-4-bromo-3-chloro-N-methylbenzamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-4-bromo-3-chloro-N-methylbenzamide?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-4-bromo-3-chloro-N-methylbenzamide is CN(C(=O)c1ccc(Br)c(Cl)c1)C1CCCC1CN.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-4-bromo-3-chloro-N-methylbenzamide?
The InChIKey is QRWWQVRBHDJACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrClN2O/c1-18(13-4-2-3-10(13)8-17)14(19)9-5-6-11(15)12(16)7-9/h5-7,10,13H,2-4,8,17H2,1H3.
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-4-bromo-3-chloro-N-methylbenzamide?
N-[2-(aminomethyl)cyclopentyl]-4-bromo-3-chloro-N-methylbenzamide has a molecular weight of 345.67 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-4-bromo-3-chloro-N-methylbenzamide is sourced from PubChem (CID 81295179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).