2-(benzylamino)-N-[2-(3-chlorophenyl)ethyl]acetamide

C17H19ClN2O — CID 108996409

IUPAC2-(benzylamino)-N-[2-(3-chlorophenyl)ethyl]acetamide
SMILESO=C(CNCc1ccccc1)NCCc1cccc(Cl)c1
InChIInChI=1S/C17H19ClN2O/c18-16-8-4-7-14(11-16)9-10-20-17(21)13-19-12-15-5-2-1-3-6-15/h1-8,11,19H,9-10,12-13H2,(H,20,21)
InChIKeyRCXHQKXVBOLZFE-UHFFFAOYSA-N
MW302.81 g/mol
LogP2.79
Rot. Bonds7

About 2-(benzylamino)-N-[2-(3-chlorophenyl)ethyl]acetamide

2-(benzylamino)-N-[2-(3-chlorophenyl)ethyl]acetamide (PubChem CID 108996409) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is 2-(benzylamino)-N-[2-(3-chlorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(benzylamino)-N-[2-(3-chlorophenyl)ethyl]acetamide
PubChem CID108996409
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC Name2-(benzylamino)-N-[2-(3-chlorophenyl)ethyl]acetamide
SMILESO=C(CNCc1ccccc1)NCCc1cccc(Cl)c1
InChIInChI=1S/C17H19ClN2O/c18-16-8-4-7-14(11-16)9-10-20-17(21)13-19-12-15-5-2-1-3-6-15/h1-8,11,19H,9-10,12-13H2,(H,20,21)
InChIKeyRCXHQKXVBOLZFE-UHFFFAOYSA-N
XLogP2.79
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3-chlorophenyl)ethyl]-2-[(2-methylphenyl)methylamino]acetamide
CID 108996547
N-[2-(3-chlorophenyl)ethyl]-2-[2-(4-chlorophenyl)ethylamino]acetamide
CID 109002830
3-(3-chlorophenyl)-N-(2-phenylethyl)propanamide
CID 1407340
N,N'-bis[2-(3-chlorophenyl)ethyl]butanediamide
CID 2166305
N-benzyl-2-(3-chlorophenyl)ethanamine
CID 39349071
N-[2-(3-chlorophenyl)ethyl]-2-[2-(2,4-dichlorophenyl)ethylamino]acetamide
CID 109006805
N-[2-(3-chlorophenyl)ethyl]-2-(3,5-dichloroanilino)acetamide
CID 109006882
methyl N-[2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl]carbamate
CID 112995851
2-[2-(aminomethyl)phenyl]-N-[2-(3-chlorophenyl)ethyl]acetamide
CID 81313061
2-[2-(3-chlorophenyl)ethylamino]-N-[(3-methylphenyl)methyl]acetamide
CID 108996919
6-[2-(3-chlorophenyl)ethylamino]-6-oxohexanoic acid
CID 43579976
N-[2-(3-chlorophenyl)ethyl]-N'-[(4-methylphenyl)methyl]propanediamide
CID 108945758

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-N-[2-(3-chlorophenyl)ethyl]acetamide?
The IUPAC name of 2-(benzylamino)-N-[2-(3-chlorophenyl)ethyl]acetamide (CID 108996409) is 2-(benzylamino)-N-[2-(3-chlorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-(benzylamino)-N-[2-(3-chlorophenyl)ethyl]acetamide?
The canonical SMILES for 2-(benzylamino)-N-[2-(3-chlorophenyl)ethyl]acetamide is O=C(CNCc1ccccc1)NCCc1cccc(Cl)c1.
What is the InChIKey of 2-(benzylamino)-N-[2-(3-chlorophenyl)ethyl]acetamide?
The InChIKey is RCXHQKXVBOLZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c18-16-8-4-7-14(11-16)9-10-20-17(21)13-19-12-15-5-2-1-3-6-15/h1-8,11,19H,9-10,12-13H2,(H,20,21).
What are the key properties of 2-(benzylamino)-N-[2-(3-chlorophenyl)ethyl]acetamide?
2-(benzylamino)-N-[2-(3-chlorophenyl)ethyl]acetamide has a molecular weight of 302.81 g/mol, XLogP of 2.79, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-N-[2-(3-chlorophenyl)ethyl]acetamide is sourced from PubChem (CID 108996409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).