3-(N-acetyl-3,4-dichloroanilino)-N-methyl-N-phenylpropanamide

C18H18Cl2N2O2 — CID 113133788

IUPAC3-(N-acetyl-3,4-dichloroanilino)-N-methyl-N-phenylpropanamide
SMILESCC(=O)N(CCC(=O)N(C)c1ccccc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H18Cl2N2O2/c1-13(23)22(15-8-9-16(19)17(20)12-15)11-10-18(24)21(2)14-6-4-3-5-7-14/h3-9,12H,10-11H2,1-2H3
InChIKeyPGBLIIBPWOXMDG-UHFFFAOYSA-N
MW365.26 g/mol
LogP4.40
Rot. Bonds5

About 3-(N-acetyl-3,4-dichloroanilino)-N-methyl-N-phenylpropanamide

3-(N-acetyl-3,4-dichloroanilino)-N-methyl-N-phenylpropanamide (PubChem CID 113133788) has the molecular formula C18H18Cl2N2O2 and a molecular weight of 365.26 g/mol. Its IUPAC name is 3-(N-acetyl-3,4-dichloroanilino)-N-methyl-N-phenylpropanamide.

Molecular Properties

Compound Name3-(N-acetyl-3,4-dichloroanilino)-N-methyl-N-phenylpropanamide
PubChem CID113133788
Molecular FormulaC18H18Cl2N2O2
Molecular Weight365.26 g/mol
Exact Mass364.07
IUPAC Name3-(N-acetyl-3,4-dichloroanilino)-N-methyl-N-phenylpropanamide
SMILESCC(=O)N(CCC(=O)N(C)c1ccccc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H18Cl2N2O2/c1-13(23)22(15-8-9-16(19)17(20)12-15)11-10-18(24)21(2)14-6-4-3-5-7-14/h3-9,12H,10-11H2,1-2H3
InChIKeyPGBLIIBPWOXMDG-UHFFFAOYSA-N
XLogP4.40
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.26
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-acetamido-N-acetylanilino)-N-methyl-N-phenylpropanamide
CID 113131003
3-(N-acetyl-3-fluoroanilino)-N-methyl-N-phenylpropanamide
CID 113132424
3-(N-acetyl-4-bromoanilino)-N-methyl-N-phenylpropanamide
CID 113128623
2-(N-acetyl-3-chloro-4-methylanilino)-N-methyl-N-phenylacetamide
CID 113172243
3-(N-acetyl-3-chloro-4-methoxyanilino)-N-ethyl-N-phenylpropanamide
CID 113128426
3-(N-acetyl-2,6-diethylanilino)-N-methyl-N-phenylpropanamide
CID 113126191
3-(N-acetyl-3,4-dichloroanilino)-N-[(3-methylphenyl)methyl]propanamide
CID 113133753
2-(N-acetyl-3,4-dichloroanilino)-N-phenylacetamide
CID 113179470
methyl N-[2-(N-acetyl-3,4-dichloroanilino)ethyl]carbamate
CID 113063574
3-(N-acetyl-2,5-dichloroanilino)-N-ethyl-N-phenylpropanamide
CID 113134013
ethyl 3-(N-benzoyl-3,4-dichloroanilino)propanoate
CID 90470373
3-(N-acetyl-3,4-dichloroanilino)-N-cyclohexylpropanamide
CID 113133736

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-3,4-dichloroanilino)-N-methyl-N-phenylpropanamide?
The IUPAC name of 3-(N-acetyl-3,4-dichloroanilino)-N-methyl-N-phenylpropanamide (CID 113133788) is 3-(N-acetyl-3,4-dichloroanilino)-N-methyl-N-phenylpropanamide.
What is the SMILES notation for 3-(N-acetyl-3,4-dichloroanilino)-N-methyl-N-phenylpropanamide?
The canonical SMILES for 3-(N-acetyl-3,4-dichloroanilino)-N-methyl-N-phenylpropanamide is CC(=O)N(CCC(=O)N(C)c1ccccc1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-(N-acetyl-3,4-dichloroanilino)-N-methyl-N-phenylpropanamide?
The InChIKey is PGBLIIBPWOXMDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O2/c1-13(23)22(15-8-9-16(19)17(20)12-15)11-10-18(24)21(2)14-6-4-3-5-7-14/h3-9,12H,10-11H2,1-2H3.
What are the key properties of 3-(N-acetyl-3,4-dichloroanilino)-N-methyl-N-phenylpropanamide?
3-(N-acetyl-3,4-dichloroanilino)-N-methyl-N-phenylpropanamide has a molecular weight of 365.26 g/mol, XLogP of 4.40, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-3,4-dichloroanilino)-N-methyl-N-phenylpropanamide is sourced from PubChem (CID 113133788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).