N-benzyl-2-[(3-chlorophenyl)methyl-ethylamino]acetamide

C18H21ClN2O — CID 52682333

IUPACN-benzyl-2-[(3-chlorophenyl)methyl-ethylamino]acetamide
SMILESCCN(CC(=O)NCc1ccccc1)Cc1cccc(Cl)c1
InChIInChI=1S/C18H21ClN2O/c1-2-21(13-16-9-6-10-17(19)11-16)14-18(22)20-12-15-7-4-3-5-8-15/h3-11H,2,12-14H2,1H3,(H,20,22)
InChIKeyATGPMWNHBNWVTL-UHFFFAOYSA-N
MW316.83 g/mol
LogP3.48
Rot. Bonds7

About N-benzyl-2-[(3-chlorophenyl)methyl-ethylamino]acetamide

N-benzyl-2-[(3-chlorophenyl)methyl-ethylamino]acetamide (PubChem CID 52682333) has the molecular formula C18H21ClN2O and a molecular weight of 316.83 g/mol. Its IUPAC name is N-benzyl-2-[(3-chlorophenyl)methyl-ethylamino]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[(3-chlorophenyl)methyl-ethylamino]acetamide
PubChem CID52682333
Molecular FormulaC18H21ClN2O
Molecular Weight316.83 g/mol
Exact Mass316.13
IUPAC NameN-benzyl-2-[(3-chlorophenyl)methyl-ethylamino]acetamide
SMILESCCN(CC(=O)NCc1ccccc1)Cc1cccc(Cl)c1
InChIInChI=1S/C18H21ClN2O/c1-2-21(13-16-9-6-10-17(19)11-16)14-18(22)20-12-15-7-4-3-5-8-15/h3-11H,2,12-14H2,1H3,(H,20,22)
InChIKeyATGPMWNHBNWVTL-UHFFFAOYSA-N
XLogP3.48
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.83
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-2-(diethylamino)acetamide
CID 969777
N-tert-butyl-2-[(3-chlorophenyl)methyl-ethylamino]acetamide
CID 78791266
N-[(3-chlorophenyl)methyl]-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
CID 135808460
2-[benzyl(ethyl)amino]-N-[[3-(methoxymethyl)phenyl]methyl]acetamide
CID 87012687
N-benzyl-2-[ethyl(propyl)amino]acetamide
CID 142231835
N-[(3-chlorophenyl)methyl]-N-ethylethanamine
CID 21325551
N-benzyl-2-[(3,5-dichlorophenyl)methyl-methylamino]acetamide
CID 52683480
N-[(3-chlorophenyl)methyl]propanamide
CID 17071125
3-[benzyl(methyl)amino]-N-[(3-chlorophenyl)methyl]propanamide
CID 118607410
1-benzyl-3-[(3-chlorophenyl)methyl]-1-ethylurea
CID 110301185
N-benzyl-2-[ethyl(3-hydroxypropyl)amino]acetamide
CID 115666155
methyl 2-[(3-chlorophenyl)methyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 62952814

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(3-chlorophenyl)methyl-ethylamino]acetamide?
The IUPAC name of N-benzyl-2-[(3-chlorophenyl)methyl-ethylamino]acetamide (CID 52682333) is N-benzyl-2-[(3-chlorophenyl)methyl-ethylamino]acetamide.
What is the SMILES notation for N-benzyl-2-[(3-chlorophenyl)methyl-ethylamino]acetamide?
The canonical SMILES for N-benzyl-2-[(3-chlorophenyl)methyl-ethylamino]acetamide is CCN(CC(=O)NCc1ccccc1)Cc1cccc(Cl)c1.
What is the InChIKey of N-benzyl-2-[(3-chlorophenyl)methyl-ethylamino]acetamide?
The InChIKey is ATGPMWNHBNWVTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O/c1-2-21(13-16-9-6-10-17(19)11-16)14-18(22)20-12-15-7-4-3-5-8-15/h3-11H,2,12-14H2,1H3,(H,20,22).
What are the key properties of N-benzyl-2-[(3-chlorophenyl)methyl-ethylamino]acetamide?
N-benzyl-2-[(3-chlorophenyl)methyl-ethylamino]acetamide has a molecular weight of 316.83 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(3-chlorophenyl)methyl-ethylamino]acetamide is sourced from PubChem (CID 52682333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).