(2S)-2-amino-N-[(4-chlorophenyl)-cyclopentylmethyl]propanamide;hydrochloride

C15H22Cl2N2O — CID 119318563

IUPAC(2S)-2-amino-N-[(4-chlorophenyl)-cyclopentylmethyl]propanamide;hydrochloride
SMILESC[C@H](N)C(=O)NC(c1ccc(Cl)cc1)C1CCCC1.Cl
InChIInChI=1S/C15H21ClN2O.ClH/c1-10(17)15(19)18-14(11-4-2-3-5-11)12-6-8-13(16)9-7-12;/h6-11,14H,2-5,17H2,1H3,(H,18,19);1H/t10-,14?;/m0./s1
InChIKeyNYCBQTILIHWZHV-LTLOVSHISA-N
MW317.26 g/mol
LogP3.46
Rot. Bonds4

About (2S)-2-amino-N-[(4-chlorophenyl)-cyclopentylmethyl]propanamide;hydrochloride

(2S)-2-amino-N-[(4-chlorophenyl)-cyclopentylmethyl]propanamide;hydrochloride (PubChem CID 119318563) has the molecular formula C15H22Cl2N2O and a molecular weight of 317.26 g/mol. Its IUPAC name is (2S)-2-amino-N-[(4-chlorophenyl)-cyclopentylmethyl]propanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[(4-chlorophenyl)-cyclopentylmethyl]propanamide;hydrochloride
PubChem CID119318563
Molecular FormulaC15H22Cl2N2O
Molecular Weight317.26 g/mol
Exact Mass316.11
IUPAC Name(2S)-2-amino-N-[(4-chlorophenyl)-cyclopentylmethyl]propanamide;hydrochloride
SMILESC[C@H](N)C(=O)NC(c1ccc(Cl)cc1)C1CCCC1.Cl
InChIInChI=1S/C15H21ClN2O.ClH/c1-10(17)15(19)18-14(11-4-2-3-5-11)12-6-8-13(16)9-7-12;/h6-11,14H,2-5,17H2,1H3,(H,18,19);1H/t10-,14?;/m0./s1
InChIKeyNYCBQTILIHWZHV-LTLOVSHISA-N
XLogP3.46
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.26
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-[(4-chlorophenyl)-cyclobutylmethyl]propanamide
CID 119318612
3-amino-N-[(4-chlorophenyl)-cyclopentylmethyl]-2-methylbutanamide;hydrochloride
CID 120500453
N-[(4-chlorophenyl)-cyclobutylmethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119775158
2-amino-N-[(4-chlorophenyl)-cyclobutylmethyl]acetamide;hydrochloride
CID 119318615
N-[(4-chlorophenyl)-cyclopropylmethyl]-2-hydroxy-4-methylpentanamide
CID 171677203
3-amino-N-[(4-chlorophenyl)-cyclopropylmethyl]butanamide
CID 119689399
1-(4-chlorophenyl)-1-cyclopentyl-N-methylmethanamine
CID 43481459
N-[(4-chlorophenyl)-cyclopentylmethyl]-3-methylsulfonylpropanamide
CID 56827234
4-amino-N-[(4-chlorophenyl)-cyclobutylmethyl]-3-methoxybutanamide;hydrochloride
CID 120591728
3-[[(4-chlorophenyl)-cyclopentylmethyl]carbamoyl-methylamino]-2-methylpropanoic acid
CID 122000936
1-(4-chlorophenyl)-1-cyclohexyl-N-methylmethanamine
CID 43481433
(2S)-N-[(S)-(4-chlorophenyl)-cyclobutylmethyl]-5-oxopyrrolidine-2-carboxamide
CID 95342739

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(4-chlorophenyl)-cyclopentylmethyl]propanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-[(4-chlorophenyl)-cyclopentylmethyl]propanamide;hydrochloride (CID 119318563) is (2S)-2-amino-N-[(4-chlorophenyl)-cyclopentylmethyl]propanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[(4-chlorophenyl)-cyclopentylmethyl]propanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-[(4-chlorophenyl)-cyclopentylmethyl]propanamide;hydrochloride is C[C@H](N)C(=O)NC(c1ccc(Cl)cc1)C1CCCC1.Cl.
What is the InChIKey of (2S)-2-amino-N-[(4-chlorophenyl)-cyclopentylmethyl]propanamide;hydrochloride?
The InChIKey is NYCBQTILIHWZHV-LTLOVSHISA-N. The full InChI is InChI=1S/C15H21ClN2O.ClH/c1-10(17)15(19)18-14(11-4-2-3-5-11)12-6-8-13(16)9-7-12;/h6-11,14H,2-5,17H2,1H3,(H,18,19);1H/t10-,14?;/m0./s1.
What are the key properties of (2S)-2-amino-N-[(4-chlorophenyl)-cyclopentylmethyl]propanamide;hydrochloride?
(2S)-2-amino-N-[(4-chlorophenyl)-cyclopentylmethyl]propanamide;hydrochloride has a molecular weight of 317.26 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(4-chlorophenyl)-cyclopentylmethyl]propanamide;hydrochloride is sourced from PubChem (CID 119318563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).