2-amino-N-[(3-chlorophenyl)methyl]-N-(2-methylpropyl)acetamide

C13H19ClN2O — CID 39357180

IUPAC2-amino-N-[(3-chlorophenyl)methyl]-N-(2-methylpropyl)acetamide
SMILESCC(C)CN(Cc1cccc(Cl)c1)C(=O)CN
InChIInChI=1S/C13H19ClN2O/c1-10(2)8-16(13(17)7-15)9-11-4-3-5-12(14)6-11/h3-6,10H,7-9,15H2,1-2H3
InChIKeyIJYKLQGZQPOGRP-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.28
Rot. Bonds5

About 2-amino-N-[(3-chlorophenyl)methyl]-N-(2-methylpropyl)acetamide

2-amino-N-[(3-chlorophenyl)methyl]-N-(2-methylpropyl)acetamide (PubChem CID 39357180) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 2-amino-N-[(3-chlorophenyl)methyl]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-amino-N-[(3-chlorophenyl)methyl]-N-(2-methylpropyl)acetamide
PubChem CID39357180
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name2-amino-N-[(3-chlorophenyl)methyl]-N-(2-methylpropyl)acetamide
SMILESCC(C)CN(Cc1cccc(Cl)c1)C(=O)CN
InChIInChI=1S/C13H19ClN2O/c1-10(2)8-16(13(17)7-15)9-11-4-3-5-12(14)6-11/h3-6,10H,7-9,15H2,1-2H3
InChIKeyIJYKLQGZQPOGRP-UHFFFAOYSA-N
XLogP2.28
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[(3-chlorophenyl)methyl]-N-(2-methylpropyl)acetamide
CID 39372981
2-amino-N-[(3-chlorophenyl)methyl]-N-(2-methoxyethyl)acetamide
CID 39358840
3-amino-N-[(3-chlorophenyl)methyl]-N-ethylbutanamide;hydrochloride
CID 119723003
(2S)-2-amino-N-[(3-chlorophenyl)methyl]-N-ethyl-4-methylpentanamide
CID 61163352
3-[2-(3-chlorophenyl)ethyl]-1,1-bis(2-methylpropyl)urea
CID 108901489
5-amino-N-[(3-chlorophenyl)methyl]-N-ethylhexanamide
CID 82852385
N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-(2-methylpropyl)butanamide
CID 42763794
tert-butyl N-(2-aminoethyl)-N-[(3-chlorophenyl)methyl]carbamate
CID 25209338
acetic acid;(3-chlorophenyl)methanamine
CID 174881740
N-[(3-chlorophenyl)methyl]-N-ethyl-2,2-difluoroacetamide
CID 103514771
3-amino-N-[(3-chlorophenyl)methyl]-N-ethyl-3-methylbutanamide
CID 64684682
4-amino-N-[(3-chlorophenyl)methyl]-N-methylpentanamide;hydrochloride
CID 120559058

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3-chlorophenyl)methyl]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-amino-N-[(3-chlorophenyl)methyl]-N-(2-methylpropyl)acetamide (CID 39357180) is 2-amino-N-[(3-chlorophenyl)methyl]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-amino-N-[(3-chlorophenyl)methyl]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-amino-N-[(3-chlorophenyl)methyl]-N-(2-methylpropyl)acetamide is CC(C)CN(Cc1cccc(Cl)c1)C(=O)CN.
What is the InChIKey of 2-amino-N-[(3-chlorophenyl)methyl]-N-(2-methylpropyl)acetamide?
The InChIKey is IJYKLQGZQPOGRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-10(2)8-16(13(17)7-15)9-11-4-3-5-12(14)6-11/h3-6,10H,7-9,15H2,1-2H3.
What are the key properties of 2-amino-N-[(3-chlorophenyl)methyl]-N-(2-methylpropyl)acetamide?
2-amino-N-[(3-chlorophenyl)methyl]-N-(2-methylpropyl)acetamide has a molecular weight of 254.76 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3-chlorophenyl)methyl]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 39357180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).