N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-methoxybenzamide

C19H21ClN2O3 — CID 17426138

IUPACN-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-methoxybenzamide
SMILESCCN(CC(=O)NCc1ccc(Cl)cc1)C(=O)c1cccc(OC)c1
InChIInChI=1S/C19H21ClN2O3/c1-3-22(19(24)15-5-4-6-17(11-15)25-2)13-18(23)21-12-14-7-9-16(20)10-8-14/h4-11H,3,12-13H2,1-2H3,(H,21,23)
InChIKeyNAUIPVQAQMMMGE-UHFFFAOYSA-N
MW360.84 g/mol
LogP3.13
Rot. Bonds7

About N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-methoxybenzamide

N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-methoxybenzamide (PubChem CID 17426138) has the molecular formula C19H21ClN2O3 and a molecular weight of 360.84 g/mol. Its IUPAC name is N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-methoxybenzamide
PubChem CID17426138
Molecular FormulaC19H21ClN2O3
Molecular Weight360.84 g/mol
Exact Mass360.12
IUPAC NameN-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-methoxybenzamide
SMILESCCN(CC(=O)NCc1ccc(Cl)cc1)C(=O)c1cccc(OC)c1
InChIInChI=1S/C19H21ClN2O3/c1-3-22(19(24)15-5-4-6-17(11-15)25-2)13-18(23)21-12-14-7-9-16(20)10-8-14/h4-11H,3,12-13H2,1-2H3,(H,21,23)
InChIKeyNAUIPVQAQMMMGE-UHFFFAOYSA-N
XLogP3.13
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.84
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-(methylsulfonylmethyl)benzamide
CID 8897183
4-chloro-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]benzamide
CID 7958626
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethylquinoxaline-6-carboxamide
CID 17410522
N-[(4-chlorophenyl)methyl]-3-(3-methoxyanilino)propanamide
CID 109021721
methyl 2-[(3-methoxybenzoyl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 62952792
3-[2-(4-chlorophenoxy)ethoxy]-N,N-diethylbenzamide
CID 13387018
N-ethyl-3-methoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 814442
N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-(pyridin-3-ylmethoxy)benzamide
CID 55770583
[2-[(4-ethylphenyl)methylamino]-2-oxoethyl] 3-methoxybenzoate
CID 46860529
2-(3-acetylphenoxy)-N-[(4-chlorophenyl)methyl]acetamide
CID 2616931
N-(2-bromoethyl)-N-ethyl-3-methoxybenzamide
CID 80659973
(E)-N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 18198226

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-methoxybenzamide?
The IUPAC name of N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-methoxybenzamide (CID 17426138) is N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-methoxybenzamide.
What is the SMILES notation for N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-methoxybenzamide?
The canonical SMILES for N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-methoxybenzamide is CCN(CC(=O)NCc1ccc(Cl)cc1)C(=O)c1cccc(OC)c1.
What is the InChIKey of N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-methoxybenzamide?
The InChIKey is NAUIPVQAQMMMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3/c1-3-22(19(24)15-5-4-6-17(11-15)25-2)13-18(23)21-12-14-7-9-16(20)10-8-14/h4-11H,3,12-13H2,1-2H3,(H,21,23).
What are the key properties of N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-methoxybenzamide?
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-methoxybenzamide has a molecular weight of 360.84 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-methoxybenzamide is sourced from PubChem (CID 17426138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).