3-acetamido-N-[(2,3-dichlorophenyl)methyl]-N-methyl-3-phenylpropanamide

C19H20Cl2N2O2 — CID 4880322

IUPAC3-acetamido-N-[(2,3-dichlorophenyl)methyl]-N-methyl-3-phenylpropanamide
SMILESCC(=O)NC(CC(=O)N(C)Cc1cccc(Cl)c1Cl)c1ccccc1
InChIInChI=1S/C19H20Cl2N2O2/c1-13(24)22-17(14-7-4-3-5-8-14)11-18(25)23(2)12-15-9-6-10-16(20)19(15)21/h3-10,17H,11-12H2,1-2H3,(H,22,24)
InChIKeyCZGPKUPKENWLBS-UHFFFAOYSA-N
MW379.29 g/mol
LogP4.22
Rot. Bonds6

About 3-acetamido-N-[(2,3-dichlorophenyl)methyl]-N-methyl-3-phenylpropanamide

3-acetamido-N-[(2,3-dichlorophenyl)methyl]-N-methyl-3-phenylpropanamide (PubChem CID 4880322) has the molecular formula C19H20Cl2N2O2 and a molecular weight of 379.29 g/mol. Its IUPAC name is 3-acetamido-N-[(2,3-dichlorophenyl)methyl]-N-methyl-3-phenylpropanamide.

Molecular Properties

Compound Name3-acetamido-N-[(2,3-dichlorophenyl)methyl]-N-methyl-3-phenylpropanamide
PubChem CID4880322
Molecular FormulaC19H20Cl2N2O2
Molecular Weight379.29 g/mol
Exact Mass378.09
IUPAC Name3-acetamido-N-[(2,3-dichlorophenyl)methyl]-N-methyl-3-phenylpropanamide
SMILESCC(=O)NC(CC(=O)N(C)Cc1cccc(Cl)c1Cl)c1ccccc1
InChIInChI=1S/C19H20Cl2N2O2/c1-13(24)22-17(14-7-4-3-5-8-14)11-18(25)23(2)12-15-9-6-10-16(20)19(15)21/h3-10,17H,11-12H2,1-2H3,(H,22,24)
InChIKeyCZGPKUPKENWLBS-UHFFFAOYSA-N
XLogP4.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.29
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dichlorophenyl)-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide
CID 3082718
D-phenylalanyl-N-(3-chlorobenzyl)-L-prolinamide
CID 25011732
m-Chlorobenzylamide, 2
CID 44237081
Benzamide derivative 8
CID 118607347
2-(3,4-Dichloro-phenyl)-N-methyl-N-(1-phenyl-2-pyrrolidin-1-yl-ethyl)-acetamide
CID 4545429
D-Phenylalanyl-N-(2,5-Dichlorobenzyl)-L-Prolinamide
CID 71449446
N-((1S)-3-(4-(2-(3,4-dichlorophenyl)-N-ethylacetamido)piperidin-1-yl)-1-phenylbutyl)cyclobutanecarboxamide
CID 44590586
N-[(1S)-3-[4-[(3,4-dichlorophenyl)methylcarbamoyl-ethyl-amino]-1-piperidyl]-1-phenyl-butyl]cyclobutanecarboxamide
CID 44590720
N-[2-[1-(3-chlorophenyl)ethylamino]-2-oxoethyl]cyclohexanecarboxamide
CID 4884539
N-(1-benzylpiperidin-4-yl)-2-(2-chloro-6-fluorophenyl)acetamide
CID 17173959
2-(3-Chloro-phenyl)-N-[1-(4-iodo-benzyl)-piperidin-4-yl]-acetamide
CID 9804703
2-(3-Chloro-phenyl)-N-[1-(4-fluoro-benzyl)-piperidin-4-yl]-acetamide
CID 9841846

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[(2,3-dichlorophenyl)methyl]-N-methyl-3-phenylpropanamide?
The IUPAC name of 3-acetamido-N-[(2,3-dichlorophenyl)methyl]-N-methyl-3-phenylpropanamide (CID 4880322) is 3-acetamido-N-[(2,3-dichlorophenyl)methyl]-N-methyl-3-phenylpropanamide.
What is the SMILES notation for 3-acetamido-N-[(2,3-dichlorophenyl)methyl]-N-methyl-3-phenylpropanamide?
The canonical SMILES for 3-acetamido-N-[(2,3-dichlorophenyl)methyl]-N-methyl-3-phenylpropanamide is CC(=O)NC(CC(=O)N(C)Cc1cccc(Cl)c1Cl)c1ccccc1.
What is the InChIKey of 3-acetamido-N-[(2,3-dichlorophenyl)methyl]-N-methyl-3-phenylpropanamide?
The InChIKey is CZGPKUPKENWLBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O2/c1-13(24)22-17(14-7-4-3-5-8-14)11-18(25)23(2)12-15-9-6-10-16(20)19(15)21/h3-10,17H,11-12H2,1-2H3,(H,22,24).
What are the key properties of 3-acetamido-N-[(2,3-dichlorophenyl)methyl]-N-methyl-3-phenylpropanamide?
3-acetamido-N-[(2,3-dichlorophenyl)methyl]-N-methyl-3-phenylpropanamide has a molecular weight of 379.29 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[(2,3-dichlorophenyl)methyl]-N-methyl-3-phenylpropanamide is sourced from PubChem (CID 4880322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).