3-amino-N-[(4-chlorophenyl)-cyclopentylmethyl]-2-methylbutanamide;hydrochloride

C17H26Cl2N2O — CID 120500453

IUPAC3-amino-N-[(4-chlorophenyl)-cyclopentylmethyl]-2-methylbutanamide;hydrochloride
SMILESCC(N)C(C)C(=O)NC(c1ccc(Cl)cc1)C1CCCC1.Cl
InChIInChI=1S/C17H25ClN2O.ClH/c1-11(12(2)19)17(21)20-16(13-5-3-4-6-13)14-7-9-15(18)10-8-14;/h7-13,16H,3-6,19H2,1-2H3,(H,20,21);1H
InChIKeyIFZZVGJZUQDQCO-UHFFFAOYSA-N
MW345.31 g/mol
LogP4.09
Rot. Bonds5

About 3-amino-N-[(4-chlorophenyl)-cyclopentylmethyl]-2-methylbutanamide;hydrochloride

3-amino-N-[(4-chlorophenyl)-cyclopentylmethyl]-2-methylbutanamide;hydrochloride (PubChem CID 120500453) has the molecular formula C17H26Cl2N2O and a molecular weight of 345.31 g/mol. Its IUPAC name is 3-amino-N-[(4-chlorophenyl)-cyclopentylmethyl]-2-methylbutanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[(4-chlorophenyl)-cyclopentylmethyl]-2-methylbutanamide;hydrochloride
PubChem CID120500453
Molecular FormulaC17H26Cl2N2O
Molecular Weight345.31 g/mol
Exact Mass344.14
IUPAC Name3-amino-N-[(4-chlorophenyl)-cyclopentylmethyl]-2-methylbutanamide;hydrochloride
SMILESCC(N)C(C)C(=O)NC(c1ccc(Cl)cc1)C1CCCC1.Cl
InChIInChI=1S/C17H25ClN2O.ClH/c1-11(12(2)19)17(21)20-16(13-5-3-4-6-13)14-7-9-15(18)10-8-14;/h7-13,16H,3-6,19H2,1-2H3,(H,20,21);1H
InChIKeyIFZZVGJZUQDQCO-UHFFFAOYSA-N
XLogP4.09
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.31
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-[(4-chlorophenyl)-cyclopentylmethyl]propanamide;hydrochloride
CID 119318563
(2S)-2-amino-N-[(4-chlorophenyl)-cyclobutylmethyl]propanamide
CID 119318612
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
1-[(4-chlorophenyl)-cyclobutylmethyl]-3-(4-hydroxy-2-methylbutyl)urea
CID 111505907
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

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(4-chlorophenyl)-cyclopentylmethyl]-2-methylbutanamide;hydrochloride?
The IUPAC name of 3-amino-N-[(4-chlorophenyl)-cyclopentylmethyl]-2-methylbutanamide;hydrochloride (CID 120500453) is 3-amino-N-[(4-chlorophenyl)-cyclopentylmethyl]-2-methylbutanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[(4-chlorophenyl)-cyclopentylmethyl]-2-methylbutanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[(4-chlorophenyl)-cyclopentylmethyl]-2-methylbutanamide;hydrochloride is CC(N)C(C)C(=O)NC(c1ccc(Cl)cc1)C1CCCC1.Cl.
What is the InChIKey of 3-amino-N-[(4-chlorophenyl)-cyclopentylmethyl]-2-methylbutanamide;hydrochloride?
The InChIKey is IFZZVGJZUQDQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O.ClH/c1-11(12(2)19)17(21)20-16(13-5-3-4-6-13)14-7-9-15(18)10-8-14;/h7-13,16H,3-6,19H2,1-2H3,(H,20,21);1H.
What are the key properties of 3-amino-N-[(4-chlorophenyl)-cyclopentylmethyl]-2-methylbutanamide;hydrochloride?
3-amino-N-[(4-chlorophenyl)-cyclopentylmethyl]-2-methylbutanamide;hydrochloride has a molecular weight of 345.31 g/mol, XLogP of 4.09, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(4-chlorophenyl)-cyclopentylmethyl]-2-methylbutanamide;hydrochloride is sourced from PubChem (CID 120500453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).