N-[4-(3,4-dichloroanilino)phenyl]propanamide

C15H14Cl2N2O — CID 112989591

IUPACN-[4-(3,4-dichloroanilino)phenyl]propanamide
SMILESCCC(=O)Nc1ccc(Nc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C15H14Cl2N2O/c1-2-15(20)19-11-5-3-10(4-6-11)18-12-7-8-13(16)14(17)9-12/h3-9,18H,2H2,1H3,(H,19,20)
InChIKeyJXIKXAKWLKYHLR-UHFFFAOYSA-N
MW309.20 g/mol
LogP5.09
Rot. Bonds4

About N-[4-(3,4-dichloroanilino)phenyl]propanamide

N-[4-(3,4-dichloroanilino)phenyl]propanamide (PubChem CID 112989591) has the molecular formula C15H14Cl2N2O and a molecular weight of 309.20 g/mol. Its IUPAC name is N-[4-(3,4-dichloroanilino)phenyl]propanamide.

Molecular Properties

Compound NameN-[4-(3,4-dichloroanilino)phenyl]propanamide
PubChem CID112989591
Molecular FormulaC15H14Cl2N2O
Molecular Weight309.20 g/mol
Exact Mass308.05
IUPAC NameN-[4-(3,4-dichloroanilino)phenyl]propanamide
SMILESCCC(=O)Nc1ccc(Nc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C15H14Cl2N2O/c1-2-15(20)19-11-5-3-10(4-6-11)18-12-7-8-13(16)14(17)9-12/h3-9,18H,2H2,1H3,(H,19,20)
InChIKeyJXIKXAKWLKYHLR-UHFFFAOYSA-N
XLogP5.09
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.20
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(3,4-dichloroanilino)phenyl]butanamide
CID 112989592
N-[4-(2-chloro-4,6-dimethylanilino)phenyl]propanamide
CID 112987182
(3,4-dichlorophenyl)methyl 4-(propanoylamino)benzoate
CID 1310557
N-(3,4-dichlorophenyl)-3-(propanoylhydrazinylidene)butanamide
CID 546204
N'-(3,4-dichlorophenyl)-N-(4-propan-2-ylphenyl)propanediamide
CID 108954400
N-[6-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]propanamide
CID 42139255
N-(3-chloro-4-methylphenyl)-4-(propanoylamino)benzamide
CID 2984948
2-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanyl-N-(3,4-dichlorophenyl)acetamide
CID 1211554
N-(4-chlorophenyl)-2-(3,4-dichloroanilino)acetamide
CID 29294726
N-(3,4-dichlorophenyl)-2-(N-ethylanilino)acetamide
CID 54808800
N-[4-(3,4,5-trimethoxyanilino)phenyl]propanamide
CID 112989467
N-[4-(propan-2-ylamino)phenyl]propanamide
CID 43720685

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-dichloroanilino)phenyl]propanamide?
The IUPAC name of N-[4-(3,4-dichloroanilino)phenyl]propanamide (CID 112989591) is N-[4-(3,4-dichloroanilino)phenyl]propanamide.
What is the SMILES notation for N-[4-(3,4-dichloroanilino)phenyl]propanamide?
The canonical SMILES for N-[4-(3,4-dichloroanilino)phenyl]propanamide is CCC(=O)Nc1ccc(Nc2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of N-[4-(3,4-dichloroanilino)phenyl]propanamide?
The InChIKey is JXIKXAKWLKYHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O/c1-2-15(20)19-11-5-3-10(4-6-11)18-12-7-8-13(16)14(17)9-12/h3-9,18H,2H2,1H3,(H,19,20).
What are the key properties of N-[4-(3,4-dichloroanilino)phenyl]propanamide?
N-[4-(3,4-dichloroanilino)phenyl]propanamide has a molecular weight of 309.20 g/mol, XLogP of 5.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-dichloroanilino)phenyl]propanamide is sourced from PubChem (CID 112989591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).