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

C16H16Cl2N2O — CID 112989592

IUPACN-[4-(3,4-dichloroanilino)phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(Nc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C16H16Cl2N2O/c1-2-3-16(21)20-12-6-4-11(5-7-12)19-13-8-9-14(17)15(18)10-13/h4-10,19H,2-3H2,1H3,(H,20,21)
InChIKeyBHIJJBSLRQKIHO-UHFFFAOYSA-N
MW323.22 g/mol
LogP5.48
Rot. Bonds5

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

N-[4-(3,4-dichloroanilino)phenyl]butanamide (PubChem CID 112989592) has the molecular formula C16H16Cl2N2O and a molecular weight of 323.22 g/mol. Its IUPAC name is N-[4-(3,4-dichloroanilino)phenyl]butanamide.

Molecular Properties

Compound NameN-[4-(3,4-dichloroanilino)phenyl]butanamide
PubChem CID112989592
Molecular FormulaC16H16Cl2N2O
Molecular Weight323.22 g/mol
Exact Mass322.06
IUPAC NameN-[4-(3,4-dichloroanilino)phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(Nc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C16H16Cl2N2O/c1-2-3-16(21)20-12-6-4-11(5-7-12)19-13-8-9-14(17)15(18)10-13/h4-10,19H,2-3H2,1H3,(H,20,21)
InChIKeyBHIJJBSLRQKIHO-UHFFFAOYSA-N
XLogP5.48
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.22
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(3,4-dichloroanilino)phenyl]propanamide
CID 112989591
N-[4-(butanoylamino)phenyl]butanamide;ethane
CID 166169399
N-[4-[1-(3,4-dichloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]butanamide
CID 22775784
N-[4-(butanoylamino)phenyl]-2,5-dichlorobenzamide
CID 1370195
N-[6-(3,4-dichloroanilino)-3-pyridinyl]pentanamide
CID 113022156
N-[5-(3-chloro-4-methylanilino)-2-pyridinyl]butanamide
CID 113033607
N-[6-(3-chloro-4-methylanilino)pyridazin-3-yl]butanamide
CID 113047760
N-(3-chloro-4-methoxyphenyl)butanamide
CID 875969
N-[3-[[2-(4-acetamidoanilino)acetyl]amino]-4-chlorophenyl]butanamide
CID 54809248
N-[6-(4-acetamidoanilino)pyridazin-3-yl]butanamide
CID 113049268
N-[3-(3-aminopropanoylamino)-4-chlorophenyl]butanamide
CID 82034391
N-(3,4-dichlorophenyl)-3-[methylsulfonyl(propyl)amino]propanamide
CID 113136025

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-dichloroanilino)phenyl]butanamide?
The IUPAC name of N-[4-(3,4-dichloroanilino)phenyl]butanamide (CID 112989592) is N-[4-(3,4-dichloroanilino)phenyl]butanamide.
What is the SMILES notation for N-[4-(3,4-dichloroanilino)phenyl]butanamide?
The canonical SMILES for N-[4-(3,4-dichloroanilino)phenyl]butanamide is CCCC(=O)Nc1ccc(Nc2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of N-[4-(3,4-dichloroanilino)phenyl]butanamide?
The InChIKey is BHIJJBSLRQKIHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O/c1-2-3-16(21)20-12-6-4-11(5-7-12)19-13-8-9-14(17)15(18)10-13/h4-10,19H,2-3H2,1H3,(H,20,21).
What are the key properties of N-[4-(3,4-dichloroanilino)phenyl]butanamide?
N-[4-(3,4-dichloroanilino)phenyl]butanamide has a molecular weight of 323.22 g/mol, XLogP of 5.48, 5 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]butanamide is sourced from PubChem (CID 112989592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).