2-amino-N-[(2-chlorophenyl)methyl]-2-methylbutanamide

C12H17ClN2O — CID 79796852

IUPAC2-amino-N-[(2-chlorophenyl)methyl]-2-methylbutanamide
SMILESCCC(C)(N)C(=O)NCc1ccccc1Cl
InChIInChI=1S/C12H17ClN2O/c1-3-12(2,14)11(16)15-8-9-6-4-5-7-10(9)13/h4-7H,3,8,14H2,1-2H3,(H,15,16)
InChIKeyZAWZODAFNFBCLC-UHFFFAOYSA-N
MW240.73 g/mol
LogP2.08
Rot. Bonds4

About 2-amino-N-[(2-chlorophenyl)methyl]-2-methylbutanamide

2-amino-N-[(2-chlorophenyl)methyl]-2-methylbutanamide (PubChem CID 79796852) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 2-amino-N-[(2-chlorophenyl)methyl]-2-methylbutanamide.

Molecular Properties

Compound Name2-amino-N-[(2-chlorophenyl)methyl]-2-methylbutanamide
PubChem CID79796852
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name2-amino-N-[(2-chlorophenyl)methyl]-2-methylbutanamide
SMILESCCC(C)(N)C(=O)NCc1ccccc1Cl
InChIInChI=1S/C12H17ClN2O/c1-3-12(2,14)11(16)15-8-9-6-4-5-7-10(9)13/h4-7H,3,8,14H2,1-2H3,(H,15,16)
InChIKeyZAWZODAFNFBCLC-UHFFFAOYSA-N
XLogP2.08
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[(2-fluorophenyl)methyl]-2-methylbutanamide
CID 79796502
N-[(2-chlorophenyl)methyl]-2-(dimethylamino)-2-methylpropanamide
CID 71847666
2-amino-2-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]butanamide
CID 79804940
N-[(2-chlorophenyl)methyl]-2,2-dimethyl-N'-pentylpropanediamide
CID 108962686
2-amino-2-methyl-N-(quinolin-8-ylmethyl)butanamide
CID 81426473
N-[(2-chlorophenyl)methyl]-N'-[(4-fluorophenyl)methyl]-2,2-dimethylpropanediamide
CID 108962520
N-[(2-chlorophenyl)methyl]-N'-(2-methoxyethyl)-2,2-dimethylpropanediamide
CID 108959459
N-butyl-N'-[(2-chlorophenyl)methyl]-N,2,2-trimethylpropanediamide
CID 108962687
ethyl 2-amino-3-(2-chlorophenyl)-2-methylpropanoate
CID 53441221
(3S)-N-[(2-chlorophenyl)methyl]-4,4,4-trifluoro-3-hydroxy-3-methylbutanamide
CID 9079138
2-(aminomethyl)-N-[(2-chlorophenyl)methyl]-4,4-dimethylpentanamide
CID 107470962
N-[(2-chlorophenyl)methyl]-3-(1,3-dioxoisoindol-2-yl)-2,2-dimethylpropanamide
CID 59778496

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2-chlorophenyl)methyl]-2-methylbutanamide?
The IUPAC name of 2-amino-N-[(2-chlorophenyl)methyl]-2-methylbutanamide (CID 79796852) is 2-amino-N-[(2-chlorophenyl)methyl]-2-methylbutanamide.
What is the SMILES notation for 2-amino-N-[(2-chlorophenyl)methyl]-2-methylbutanamide?
The canonical SMILES for 2-amino-N-[(2-chlorophenyl)methyl]-2-methylbutanamide is CCC(C)(N)C(=O)NCc1ccccc1Cl.
What is the InChIKey of 2-amino-N-[(2-chlorophenyl)methyl]-2-methylbutanamide?
The InChIKey is ZAWZODAFNFBCLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-3-12(2,14)11(16)15-8-9-6-4-5-7-10(9)13/h4-7H,3,8,14H2,1-2H3,(H,15,16).
What are the key properties of 2-amino-N-[(2-chlorophenyl)methyl]-2-methylbutanamide?
2-amino-N-[(2-chlorophenyl)methyl]-2-methylbutanamide has a molecular weight of 240.73 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2-chlorophenyl)methyl]-2-methylbutanamide is sourced from PubChem (CID 79796852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).