3-(3,4-dichloroanilino)-N-[(4-methylphenyl)methyl]propanamide

C17H18Cl2N2O — CID 109019889

IUPAC3-(3,4-dichloroanilino)-N-[(4-methylphenyl)methyl]propanamide
SMILESCc1ccc(CNC(=O)CCNc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C17H18Cl2N2O/c1-12-2-4-13(5-3-12)11-21-17(22)8-9-20-14-6-7-15(18)16(19)10-14/h2-7,10,20H,8-9,11H2,1H3,(H,21,22)
InChIKeyCCFWNAJYCKRREU-UHFFFAOYSA-N
MW337.25 g/mol
LogP4.42
Rot. Bonds6

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

3-(3,4-dichloroanilino)-N-[(4-methylphenyl)methyl]propanamide (PubChem CID 109019889) has the molecular formula C17H18Cl2N2O and a molecular weight of 337.25 g/mol. Its IUPAC name is 3-(3,4-dichloroanilino)-N-[(4-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(3,4-dichloroanilino)-N-[(4-methylphenyl)methyl]propanamide
PubChem CID109019889
Molecular FormulaC17H18Cl2N2O
Molecular Weight337.25 g/mol
Exact Mass336.08
IUPAC Name3-(3,4-dichloroanilino)-N-[(4-methylphenyl)methyl]propanamide
SMILESCc1ccc(CNC(=O)CCNc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C17H18Cl2N2O/c1-12-2-4-13(5-3-12)11-21-17(22)8-9-20-14-6-7-15(18)16(19)10-14/h2-7,10,20H,8-9,11H2,1H3,(H,21,22)
InChIKeyCCFWNAJYCKRREU-UHFFFAOYSA-N
XLogP4.42
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.25
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(3,4-dichloroanilino)-N-[(4-methylphenyl)methyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-tert-butylanilino)-N-[(4-methylphenyl)methyl]propanamide
CID 109019825
3-anilino-N-[(4-methylphenyl)methyl]propanamide
CID 109019803
3-(3,4-dichloroanilino)-N-propylpropanamide
CID 109011460
N-benzyl-3-(4-methylanilino)propanamide
CID 109018805
N-(3,4-dichlorophenyl)-3-[(4-methylphenyl)methylamino]propanamide
CID 109020057
N-[(4-methoxyphenyl)methyl]-3-(4-methylanilino)propanamide
CID 8833236
3-(3-chloro-4-fluoroanilino)-N-[(3-methylphenyl)methyl]propanamide
CID 109019503
3-(4-methylanilino)-N-[(3-methylphenyl)methyl]propanamide
CID 37430844
3-(3,4-dichloroanilino)-N-(2-methoxyethyl)propanamide
CID 109015130
3-[(3,4-dichlorophenyl)methylsulfanyl]-N-[(4-methylphenyl)methyl]propanamide
CID 8798737
N-benzyl-3-[4-chloro-3-(trifluoromethyl)anilino]propanamide
CID 109018886
methyl 2-chloro-5-[[2-[(4-methylphenyl)methylamino]-2-oxoethyl]amino]benzoate
CID 37230278

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichloroanilino)-N-[(4-methylphenyl)methyl]propanamide?
The IUPAC name of 3-(3,4-dichloroanilino)-N-[(4-methylphenyl)methyl]propanamide (CID 109019889) is 3-(3,4-dichloroanilino)-N-[(4-methylphenyl)methyl]propanamide.
What is the SMILES notation for 3-(3,4-dichloroanilino)-N-[(4-methylphenyl)methyl]propanamide?
The canonical SMILES for 3-(3,4-dichloroanilino)-N-[(4-methylphenyl)methyl]propanamide is Cc1ccc(CNC(=O)CCNc2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of 3-(3,4-dichloroanilino)-N-[(4-methylphenyl)methyl]propanamide?
The InChIKey is CCFWNAJYCKRREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O/c1-12-2-4-13(5-3-12)11-21-17(22)8-9-20-14-6-7-15(18)16(19)10-14/h2-7,10,20H,8-9,11H2,1H3,(H,21,22).
What are the key properties of 3-(3,4-dichloroanilino)-N-[(4-methylphenyl)methyl]propanamide?
3-(3,4-dichloroanilino)-N-[(4-methylphenyl)methyl]propanamide has a molecular weight of 337.25 g/mol, XLogP of 4.42, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichloroanilino)-N-[(4-methylphenyl)methyl]propanamide is sourced from PubChem (CID 109019889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).