N-[2-(2,4-dichloroanilino)-2-oxoethyl]-3-phenylpropanamide

C17H16Cl2N2O2 — CID 113001262

IUPACN-[2-(2,4-dichloroanilino)-2-oxoethyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NCC(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H16Cl2N2O2/c18-13-7-8-15(14(19)10-13)21-17(23)11-20-16(22)9-6-12-4-2-1-3-5-12/h1-5,7-8,10H,6,9,11H2,(H,20,22)(H,21,23)
InChIKeyTVBWENNVMGRSPV-UHFFFAOYSA-N
MW351.23 g/mol
LogP3.68
Rot. Bonds6

About N-[2-(2,4-dichloroanilino)-2-oxoethyl]-3-phenylpropanamide

N-[2-(2,4-dichloroanilino)-2-oxoethyl]-3-phenylpropanamide (PubChem CID 113001262) has the molecular formula C17H16Cl2N2O2 and a molecular weight of 351.23 g/mol. Its IUPAC name is N-[2-(2,4-dichloroanilino)-2-oxoethyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[2-(2,4-dichloroanilino)-2-oxoethyl]-3-phenylpropanamide
PubChem CID113001262
Molecular FormulaC17H16Cl2N2O2
Molecular Weight351.23 g/mol
Exact Mass350.06
IUPAC NameN-[2-(2,4-dichloroanilino)-2-oxoethyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NCC(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H16Cl2N2O2/c18-13-7-8-15(14(19)10-13)21-17(23)11-20-16(22)9-6-12-4-2-1-3-5-12/h1-5,7-8,10H,6,9,11H2,(H,20,22)(H,21,23)
InChIKeyTVBWENNVMGRSPV-UHFFFAOYSA-N
XLogP3.68
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.23
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-chloro-4-(3-phenylpropanoylamino)phenyl]-3-phenylpropanamide
CID 1234574
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-phenylacetamide
CID 2449630
N-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-3-phenylpropanamide
CID 113000076
N-[2-(2,4-dichloroanilino)-2-oxoethyl]-2-(4-fluorophenyl)acetamide
CID 113001259
3-[benzyl(methyl)amino]-N-(2,4-dichlorophenyl)propanamide
CID 109020669
2-(2,4-dichloroanilino)-N-(2,4-dichlorophenyl)acetamide
CID 54811499
methyl 5-chloro-2-(3-phenylpropanoylamino)benzoate
CID 171988189
N-(4-carbamothioyl-2-chlorophenyl)-3-phenylpropanamide
CID 107808479
N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-3-(3-chlorophenyl)propanamide
CID 110625415
N-(2,4-dichlorophenyl)-2,2-dimethyl-N'-(2-phenylethyl)propanediamide
CID 108963909
3-(3-chlorophenyl)-N-(2-phenylethyl)propanamide
CID 1407340
3-(3-amino-4-hydroxyphenyl)-N-(2,4-dichlorophenyl)propanamide
CID 19038227

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichloroanilino)-2-oxoethyl]-3-phenylpropanamide?
The IUPAC name of N-[2-(2,4-dichloroanilino)-2-oxoethyl]-3-phenylpropanamide (CID 113001262) is N-[2-(2,4-dichloroanilino)-2-oxoethyl]-3-phenylpropanamide.
What is the SMILES notation for N-[2-(2,4-dichloroanilino)-2-oxoethyl]-3-phenylpropanamide?
The canonical SMILES for N-[2-(2,4-dichloroanilino)-2-oxoethyl]-3-phenylpropanamide is O=C(CCc1ccccc1)NCC(=O)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[2-(2,4-dichloroanilino)-2-oxoethyl]-3-phenylpropanamide?
The InChIKey is TVBWENNVMGRSPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O2/c18-13-7-8-15(14(19)10-13)21-17(23)11-20-16(22)9-6-12-4-2-1-3-5-12/h1-5,7-8,10H,6,9,11H2,(H,20,22)(H,21,23).
What are the key properties of N-[2-(2,4-dichloroanilino)-2-oxoethyl]-3-phenylpropanamide?
N-[2-(2,4-dichloroanilino)-2-oxoethyl]-3-phenylpropanamide has a molecular weight of 351.23 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichloroanilino)-2-oxoethyl]-3-phenylpropanamide is sourced from PubChem (CID 113001262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).