N-[2-(aminomethyl)cyclopentyl]-3-(2-bromo-5-chlorophenyl)propanamide

C15H20BrClN2O — CID 119602349

IUPACN-[2-(aminomethyl)cyclopentyl]-3-(2-bromo-5-chlorophenyl)propanamide
SMILESNCC1CCCC1NC(=O)CCc1cc(Cl)ccc1Br
InChIInChI=1S/C15H20BrClN2O/c16-13-6-5-12(17)8-10(13)4-7-15(20)19-14-3-1-2-11(14)9-18/h5-6,8,11,14H,1-4,7,9,18H2,(H,19,20)
InChIKeyGIRJZVAUZPZXGD-UHFFFAOYSA-N
MW359.70 g/mol
LogP3.28
Rot. Bonds5

About N-[2-(aminomethyl)cyclopentyl]-3-(2-bromo-5-chlorophenyl)propanamide

N-[2-(aminomethyl)cyclopentyl]-3-(2-bromo-5-chlorophenyl)propanamide (PubChem CID 119602349) has the molecular formula C15H20BrClN2O and a molecular weight of 359.70 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-3-(2-bromo-5-chlorophenyl)propanamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-3-(2-bromo-5-chlorophenyl)propanamide
PubChem CID119602349
Molecular FormulaC15H20BrClN2O
Molecular Weight359.70 g/mol
Exact Mass358.04
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-3-(2-bromo-5-chlorophenyl)propanamide
SMILESNCC1CCCC1NC(=O)CCc1cc(Cl)ccc1Br
InChIInChI=1S/C15H20BrClN2O/c16-13-6-5-12(17)8-10(13)4-7-15(20)19-14-3-1-2-11(14)9-18/h5-6,8,11,14H,1-4,7,9,18H2,(H,19,20)
InChIKeyGIRJZVAUZPZXGD-UHFFFAOYSA-N
XLogP3.28
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.70
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-3-(2,4-dichlorophenyl)propanamide
CID 119604389
N-[2-(aminomethyl)cyclopentyl]-3-(2,4-dichlorophenyl)propanamide;hydrochloride
CID 119604388
N-[2-(aminomethyl)cyclohexyl]-3-(2-bromophenyl)propanamide;hydrochloride
CID 119611792
N-[2-(aminomethyl)cyclopentyl]-3-(2-bromo-4-chlorophenoxy)propanamide
CID 119601445
N-[2-(aminomethyl)cyclopentyl]-2-(2-bromophenyl)acetamide;hydrochloride
CID 119603681
N-[2-(aminomethyl)cyclopentyl]-2-(5-chloro-2-methoxyphenyl)acetamide
CID 119600550
N-(4-aminocyclohexyl)-3-(2-bromo-5-chlorophenyl)propanamide;hydrochloride
CID 119476172
3-(2,4-dichlorophenyl)-N-[2-(hydroxymethyl)cyclopentyl]propanamide
CID 103751500
N-[2-(aminomethyl)cyclohexyl]-3-(4-chlorophenyl)sulfanylpropanamide
CID 119610524
N-[2-(aminomethyl)cyclopentyl]-3-(3-bromo-4-methoxyphenyl)propanamide
CID 119601994
N-[2-(aminomethyl)cyclohexyl]-3-(2-aminophenyl)propanamide
CID 122080752
N-[2-(aminomethyl)cyclohexyl]-3-(2,4-dimethylphenyl)propanamide;hydrochloride
CID 119609666

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-3-(2-bromo-5-chlorophenyl)propanamide?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-3-(2-bromo-5-chlorophenyl)propanamide (CID 119602349) is N-[2-(aminomethyl)cyclopentyl]-3-(2-bromo-5-chlorophenyl)propanamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-3-(2-bromo-5-chlorophenyl)propanamide?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-3-(2-bromo-5-chlorophenyl)propanamide is NCC1CCCC1NC(=O)CCc1cc(Cl)ccc1Br.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-3-(2-bromo-5-chlorophenyl)propanamide?
The InChIKey is GIRJZVAUZPZXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrClN2O/c16-13-6-5-12(17)8-10(13)4-7-15(20)19-14-3-1-2-11(14)9-18/h5-6,8,11,14H,1-4,7,9,18H2,(H,19,20).
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-3-(2-bromo-5-chlorophenyl)propanamide?
N-[2-(aminomethyl)cyclopentyl]-3-(2-bromo-5-chlorophenyl)propanamide has a molecular weight of 359.70 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-3-(2-bromo-5-chlorophenyl)propanamide is sourced from PubChem (CID 119602349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).