1-amino-N-[1-(2,4-dichlorophenyl)ethyl]cyclopentane-1-carboxamide

C14H18Cl2N2O — CID 54924993

IUPAC1-amino-N-[1-(2,4-dichlorophenyl)ethyl]cyclopentane-1-carboxamide
SMILESCC(NC(=O)C1(N)CCCC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H18Cl2N2O/c1-9(11-5-4-10(15)8-12(11)16)18-13(19)14(17)6-2-3-7-14/h4-5,8-9H,2-3,6-7,17H2,1H3,(H,18,19)
InChIKeyQILUYMGEGJYZAR-UHFFFAOYSA-N
MW301.22 g/mol
LogP3.44
Rot. Bonds3

About 1-amino-N-[1-(2,4-dichlorophenyl)ethyl]cyclopentane-1-carboxamide

1-amino-N-[1-(2,4-dichlorophenyl)ethyl]cyclopentane-1-carboxamide (PubChem CID 54924993) has the molecular formula C14H18Cl2N2O and a molecular weight of 301.22 g/mol. Its IUPAC name is 1-amino-N-[1-(2,4-dichlorophenyl)ethyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[1-(2,4-dichlorophenyl)ethyl]cyclopentane-1-carboxamide
PubChem CID54924993
Molecular FormulaC14H18Cl2N2O
Molecular Weight301.22 g/mol
Exact Mass300.08
IUPAC Name1-amino-N-[1-(2,4-dichlorophenyl)ethyl]cyclopentane-1-carboxamide
SMILESCC(NC(=O)C1(N)CCCC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H18Cl2N2O/c1-9(11-5-4-10(15)8-12(11)16)18-13(19)14(17)6-2-3-7-14/h4-5,8-9H,2-3,6-7,17H2,1H3,(H,18,19)
InChIKeyQILUYMGEGJYZAR-UHFFFAOYSA-N
XLogP3.44
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.22
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(2,4-dichlorophenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 62096941
3-chloro-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-1,3-dimethylcyclobutane-1-carboxamide
CID 23550315
N-[1-(2,4-dichlorophenyl)ethyl]-2-hydrazinyl-2-oxoacetamide
CID 43163867
N-[1-(2,4-dichlorophenyl)ethyl]-2-ethylpyrrolidine-2-carboxamide
CID 83080607
2-amino-N-[1-(2,4-dichlorophenyl)ethyl]propanamide
CID 43176389
N-[1-(2,4-dichlorophenyl)ethyl]-4-methoxypiperidine-4-carboxamide
CID 119683871
N-[1-(2,4-dichlorophenyl)ethyl]-2-propylpyrrolidine-2-carboxamide
CID 106974134
(2S)-2-chloro-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]propanamide
CID 2118112
N-[1-(2,4-dichlorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120617622
1-amino-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]cyclopentane-1-carboxamide
CID 119324647
1-[1-(2,4-dichlorophenyl)ethyl]-2-[(1-hydroxycyclopentyl)methyl]guanidine
CID 111088685
3-amino-N-[1-(2,4-dichlorophenyl)ethyl]-2-methylpropanamide
CID 62669599

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[1-(2,4-dichlorophenyl)ethyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-amino-N-[1-(2,4-dichlorophenyl)ethyl]cyclopentane-1-carboxamide (CID 54924993) is 1-amino-N-[1-(2,4-dichlorophenyl)ethyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[1-(2,4-dichlorophenyl)ethyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-amino-N-[1-(2,4-dichlorophenyl)ethyl]cyclopentane-1-carboxamide is CC(NC(=O)C1(N)CCCC1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-amino-N-[1-(2,4-dichlorophenyl)ethyl]cyclopentane-1-carboxamide?
The InChIKey is QILUYMGEGJYZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O/c1-9(11-5-4-10(15)8-12(11)16)18-13(19)14(17)6-2-3-7-14/h4-5,8-9H,2-3,6-7,17H2,1H3,(H,18,19).
What are the key properties of 1-amino-N-[1-(2,4-dichlorophenyl)ethyl]cyclopentane-1-carboxamide?
1-amino-N-[1-(2,4-dichlorophenyl)ethyl]cyclopentane-1-carboxamide has a molecular weight of 301.22 g/mol, XLogP of 3.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[1-(2,4-dichlorophenyl)ethyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 54924993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).