3-amino-N-[(3-chlorophenyl)methyl]-N-ethyl-2-phenylpropanamide

C18H21ClN2O — CID 119722974

IUPAC3-amino-N-[(3-chlorophenyl)methyl]-N-ethyl-2-phenylpropanamide
SMILESCCN(Cc1cccc(Cl)c1)C(=O)C(CN)c1ccccc1
InChIInChI=1S/C18H21ClN2O/c1-2-21(13-14-7-6-10-16(19)11-14)18(22)17(12-20)15-8-4-3-5-9-15/h3-11,17H,2,12-13,20H2,1H3
InChIKeyCMZDTVDXPXAYPE-UHFFFAOYSA-N
MW316.83 g/mol
LogP3.43
Rot. Bonds6

About 3-amino-N-[(3-chlorophenyl)methyl]-N-ethyl-2-phenylpropanamide

3-amino-N-[(3-chlorophenyl)methyl]-N-ethyl-2-phenylpropanamide (PubChem CID 119722974) has the molecular formula C18H21ClN2O and a molecular weight of 316.83 g/mol. Its IUPAC name is 3-amino-N-[(3-chlorophenyl)methyl]-N-ethyl-2-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-[(3-chlorophenyl)methyl]-N-ethyl-2-phenylpropanamide
PubChem CID119722974
Molecular FormulaC18H21ClN2O
Molecular Weight316.83 g/mol
Exact Mass316.13
IUPAC Name3-amino-N-[(3-chlorophenyl)methyl]-N-ethyl-2-phenylpropanamide
SMILESCCN(Cc1cccc(Cl)c1)C(=O)C(CN)c1ccccc1
InChIInChI=1S/C18H21ClN2O/c1-2-21(13-14-7-6-10-16(19)11-14)18(22)17(12-20)15-8-4-3-5-9-15/h3-11,17H,2,12-13,20H2,1H3
InChIKeyCMZDTVDXPXAYPE-UHFFFAOYSA-N
XLogP3.43
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.83
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N,N-diethyl-2-phenylpropanamide
CID 62876932
N-[(3-chlorophenyl)methyl]-N-ethyl-2,2-difluoroacetamide
CID 103514771
3-amino-4-[(3-chlorophenyl)methyl-ethylamino]-4-oxobutanoic acid
CID 64896505
(2S)-2-amino-N-[(3-chlorophenyl)methyl]-N-ethylbutanamide;hydrochloride
CID 119289151
2-amino-N-[(3-chlorophenyl)methyl]-N-ethylbutanediamide
CID 54871050
(2S)-2-amino-N-[(3-chlorophenyl)methyl]-N-ethyl-4-methylpentanamide
CID 61163352
(2R)-2-amino-N-[(3-chlorophenyl)methyl]-N-ethyl-4-methylsulfanylbutanamide
CID 104907715
N-[(3-chlorophenyl)methyl]-N-ethyl-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119722995
3-amino-N-[(3-chlorophenyl)methyl]-N-ethylbutanamide;hydrochloride
CID 119723003
3-amino-N-benzyl-N-methyl-2-phenylpropanamide
CID 62878331
3-amino-N-[(3-chlorophenyl)methyl]-N-ethyl-3-methylbutanamide
CID 64684682
1-benzyl-3-[(3-chlorophenyl)methyl]-1-ethylurea
CID 110301185

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3-chlorophenyl)methyl]-N-ethyl-2-phenylpropanamide?
The IUPAC name of 3-amino-N-[(3-chlorophenyl)methyl]-N-ethyl-2-phenylpropanamide (CID 119722974) is 3-amino-N-[(3-chlorophenyl)methyl]-N-ethyl-2-phenylpropanamide.
What is the SMILES notation for 3-amino-N-[(3-chlorophenyl)methyl]-N-ethyl-2-phenylpropanamide?
The canonical SMILES for 3-amino-N-[(3-chlorophenyl)methyl]-N-ethyl-2-phenylpropanamide is CCN(Cc1cccc(Cl)c1)C(=O)C(CN)c1ccccc1.
What is the InChIKey of 3-amino-N-[(3-chlorophenyl)methyl]-N-ethyl-2-phenylpropanamide?
The InChIKey is CMZDTVDXPXAYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O/c1-2-21(13-14-7-6-10-16(19)11-14)18(22)17(12-20)15-8-4-3-5-9-15/h3-11,17H,2,12-13,20H2,1H3.
What are the key properties of 3-amino-N-[(3-chlorophenyl)methyl]-N-ethyl-2-phenylpropanamide?
3-amino-N-[(3-chlorophenyl)methyl]-N-ethyl-2-phenylpropanamide has a molecular weight of 316.83 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(3-chlorophenyl)methyl]-N-ethyl-2-phenylpropanamide is sourced from PubChem (CID 119722974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).