2-[benzyl(ethyl)amino]-1-(3,4-dichlorophenyl)ethanone

C17H17Cl2NO — CID 60649875

IUPAC2-[benzyl(ethyl)amino]-1-(3,4-dichlorophenyl)ethanone
SMILESCCN(CC(=O)c1ccc(Cl)c(Cl)c1)Cc1ccccc1
InChIInChI=1S/C17H17Cl2NO/c1-2-20(11-13-6-4-3-5-7-13)12-17(21)14-8-9-15(18)16(19)10-14/h3-10H,2,11-12H2,1H3
InChIKeyYIFBZZNYGBKNSO-UHFFFAOYSA-N
MW322.24 g/mol
LogP4.70
Rot. Bonds6

About 2-[benzyl(ethyl)amino]-1-(3,4-dichlorophenyl)ethanone

2-[benzyl(ethyl)amino]-1-(3,4-dichlorophenyl)ethanone (PubChem CID 60649875) has the molecular formula C17H17Cl2NO and a molecular weight of 322.24 g/mol. Its IUPAC name is 2-[benzyl(ethyl)amino]-1-(3,4-dichlorophenyl)ethanone.

Molecular Properties

Compound Name2-[benzyl(ethyl)amino]-1-(3,4-dichlorophenyl)ethanone
PubChem CID60649875
Molecular FormulaC17H17Cl2NO
Molecular Weight322.24 g/mol
Exact Mass321.07
IUPAC Name2-[benzyl(ethyl)amino]-1-(3,4-dichlorophenyl)ethanone
SMILESCCN(CC(=O)c1ccc(Cl)c(Cl)c1)Cc1ccccc1
InChIInChI=1S/C17H17Cl2NO/c1-2-20(11-13-6-4-3-5-7-13)12-17(21)14-8-9-15(18)16(19)10-14/h3-10H,2,11-12H2,1H3
InChIKeyYIFBZZNYGBKNSO-UHFFFAOYSA-N
XLogP4.70
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.24
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[benzyl(ethyl)amino]-1-(4-fluorophenyl)ethanone
CID 60649817
2-[benzyl(pyridin-2-yl)amino]-1-(3,4-dichlorophenyl)ethanone
CID 4625405
2-[benzyl(phenacyl)amino]-1-phenylethanone;hydrobromide
CID 14149400
1-(3,4-dichlorophenyl)-3-phenylpropan-1-one
CID 18351990
N-benzyl-N-tert-butyl-3,4-dichlorobenzamide
CID 888438
3-[[benzyl(ethyl)amino]methyl]benzoic acid
CID 22685949
(1S)-2-[benzyl(ethyl)amino]-1-(3,4-dichlorophenyl)ethanol
CID 92856160
3-amino-4-[[benzyl(ethyl)amino]methyl]benzoic acid
CID 82165856
2-[(3-bromophenyl)methyl-methylamino]-1-(3,4-dichlorophenyl)ethanone
CID 63567379
benzoic acid;N-benzyl-N-ethylethanamine
CID 86113086
2-[ethyl(pyridin-4-ylmethyl)amino]-1-(4-hydroxyphenyl)ethanone
CID 62052112
1-(3,4-dichlorophenyl)-2-phenylmethoxyethanone
CID 55031191

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(ethyl)amino]-1-(3,4-dichlorophenyl)ethanone?
The IUPAC name of 2-[benzyl(ethyl)amino]-1-(3,4-dichlorophenyl)ethanone (CID 60649875) is 2-[benzyl(ethyl)amino]-1-(3,4-dichlorophenyl)ethanone.
What is the SMILES notation for 2-[benzyl(ethyl)amino]-1-(3,4-dichlorophenyl)ethanone?
The canonical SMILES for 2-[benzyl(ethyl)amino]-1-(3,4-dichlorophenyl)ethanone is CCN(CC(=O)c1ccc(Cl)c(Cl)c1)Cc1ccccc1.
What is the InChIKey of 2-[benzyl(ethyl)amino]-1-(3,4-dichlorophenyl)ethanone?
The InChIKey is YIFBZZNYGBKNSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO/c1-2-20(11-13-6-4-3-5-7-13)12-17(21)14-8-9-15(18)16(19)10-14/h3-10H,2,11-12H2,1H3.
What are the key properties of 2-[benzyl(ethyl)amino]-1-(3,4-dichlorophenyl)ethanone?
2-[benzyl(ethyl)amino]-1-(3,4-dichlorophenyl)ethanone has a molecular weight of 322.24 g/mol, XLogP of 4.70, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(ethyl)amino]-1-(3,4-dichlorophenyl)ethanone is sourced from PubChem (CID 60649875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).