N-[2-(aminomethyl)cyclopentyl]-3-(2,4-dichlorophenyl)propanamide

C15H20Cl2N2O — CID 119604389

IUPACN-[2-(aminomethyl)cyclopentyl]-3-(2,4-dichlorophenyl)propanamide
SMILESNCC1CCCC1NC(=O)CCc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H20Cl2N2O/c16-12-6-4-10(13(17)8-12)5-7-15(20)19-14-3-1-2-11(14)9-18/h4,6,8,11,14H,1-3,5,7,9,18H2,(H,19,20)
InChIKeyBTMVTHJOZZTYMO-UHFFFAOYSA-N
MW315.24 g/mol
LogP3.17
Rot. Bonds5

About N-[2-(aminomethyl)cyclopentyl]-3-(2,4-dichlorophenyl)propanamide

N-[2-(aminomethyl)cyclopentyl]-3-(2,4-dichlorophenyl)propanamide (PubChem CID 119604389) has the molecular formula C15H20Cl2N2O and a molecular weight of 315.24 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-3-(2,4-dichlorophenyl)propanamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-3-(2,4-dichlorophenyl)propanamide
PubChem CID119604389
Molecular FormulaC15H20Cl2N2O
Molecular Weight315.24 g/mol
Exact Mass314.10
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-3-(2,4-dichlorophenyl)propanamide
SMILESNCC1CCCC1NC(=O)CCc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H20Cl2N2O/c16-12-6-4-10(13(17)8-12)5-7-15(20)19-14-3-1-2-11(14)9-18/h4,6,8,11,14H,1-3,5,7,9,18H2,(H,19,20)
InChIKeyBTMVTHJOZZTYMO-UHFFFAOYSA-N
XLogP3.17
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.24
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-3-(2,4-dichlorophenyl)propanamide;hydrochloride
CID 119604388
3-(2,4-dichlorophenyl)-N-[2-(hydroxymethyl)cyclopentyl]propanamide
CID 103751500
N-[2-(aminomethyl)cyclopentyl]-3-(2-bromo-5-chlorophenyl)propanamide
CID 119602349
N-[2-(aminomethyl)cyclopentyl]-3-(2-bromo-4-chlorophenoxy)propanamide
CID 119601445
N-(2-bicyclo[2.2.1]heptanyl)-3-(2,4-dichlorophenyl)propanamide
CID 133225055
N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-3-(2,4-dichlorophenyl)propanamide
CID 100605785
N-[2-(aminomethyl)cyclopentyl]-2-(5-chloro-2-methoxyphenyl)acetamide
CID 119600550
N-[2-(aminomethyl)cyclohexyl]-3-(2,4-dimethylphenyl)propanamide;hydrochloride
CID 119609666
N-[2-(aminomethyl)cyclohexyl]-3-(4-chlorophenyl)sulfanylpropanamide
CID 119610524
N-[2-(aminomethyl)cyclopentyl]-2-(2,5-dichlorophenoxy)acetamide;hydrochloride
CID 119600602
N-[2-(aminomethyl)cyclohexyl]-3-(2-aminophenyl)propanamide
CID 122080752
N-[2-(aminomethyl)cyclohexyl]-4-(3,4-difluorophenyl)butanamide
CID 119610887

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-3-(2,4-dichlorophenyl)propanamide?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-3-(2,4-dichlorophenyl)propanamide (CID 119604389) is N-[2-(aminomethyl)cyclopentyl]-3-(2,4-dichlorophenyl)propanamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-3-(2,4-dichlorophenyl)propanamide?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-3-(2,4-dichlorophenyl)propanamide is NCC1CCCC1NC(=O)CCc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-3-(2,4-dichlorophenyl)propanamide?
The InChIKey is BTMVTHJOZZTYMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2O/c16-12-6-4-10(13(17)8-12)5-7-15(20)19-14-3-1-2-11(14)9-18/h4,6,8,11,14H,1-3,5,7,9,18H2,(H,19,20).
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-3-(2,4-dichlorophenyl)propanamide?
N-[2-(aminomethyl)cyclopentyl]-3-(2,4-dichlorophenyl)propanamide has a molecular weight of 315.24 g/mol, XLogP of 3.17, 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-(2,4-dichlorophenyl)propanamide is sourced from PubChem (CID 119604389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).