3-(4-chloroanilino)-N-[2-(4-chlorophenyl)ethyl]propanamide

C17H18Cl2N2O — CID 109027936

IUPAC3-(4-chloroanilino)-N-[2-(4-chlorophenyl)ethyl]propanamide
SMILESO=C(CCNc1ccc(Cl)cc1)NCCc1ccc(Cl)cc1
InChIInChI=1S/C17H18Cl2N2O/c18-14-3-1-13(2-4-14)9-11-21-17(22)10-12-20-16-7-5-15(19)6-8-16/h1-8,20H,9-12H2,(H,21,22)
InChIKeyYIJZUAMJYLVSJU-UHFFFAOYSA-N
MW337.25 g/mol
LogP4.15
Rot. Bonds7

About 3-(4-chloroanilino)-N-[2-(4-chlorophenyl)ethyl]propanamide

3-(4-chloroanilino)-N-[2-(4-chlorophenyl)ethyl]propanamide (PubChem CID 109027936) has the molecular formula C17H18Cl2N2O and a molecular weight of 337.25 g/mol. Its IUPAC name is 3-(4-chloroanilino)-N-[2-(4-chlorophenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(4-chloroanilino)-N-[2-(4-chlorophenyl)ethyl]propanamide
PubChem CID109027936
Molecular FormulaC17H18Cl2N2O
Molecular Weight337.25 g/mol
Exact Mass336.08
IUPAC Name3-(4-chloroanilino)-N-[2-(4-chlorophenyl)ethyl]propanamide
SMILESO=C(CCNc1ccc(Cl)cc1)NCCc1ccc(Cl)cc1
InChIInChI=1S/C17H18Cl2N2O/c18-14-3-1-13(2-4-14)9-11-21-17(22)10-12-20-16-7-5-15(19)6-8-16/h1-8,20H,9-12H2,(H,21,22)
InChIKeyYIJZUAMJYLVSJU-UHFFFAOYSA-N
XLogP4.15
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.25
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]butanamide
CID 60628099
N-[2-(4-chlorophenyl)ethyl]-3-(ethylamino)propanamide
CID 62836136
N-[2-(4-chlorophenyl)ethyl]-3-(2,3-dichloroanilino)propanamide
CID 109027992
3-(2-bromoanilino)-N-[2-(4-chlorophenyl)ethyl]propanamide
CID 109027975
1-(4-chlorophenyl)-3-[2-(4-chlorophenyl)ethyl]urea
CID 2805176
3-(4-tert-butylanilino)-N-[(4-chlorophenyl)methyl]propanamide
CID 109021704
N-[2-(4-chlorophenyl)ethyl]-3-(2-ethylanilino)propanamide
CID 109027923
N-[2-(4-chlorophenyl)ethyl]-2-hydroxyacetamide
CID 16769436
N-[2-(4-chlorophenyl)ethyl]-2-(4-propan-2-ylanilino)acetamide
CID 109002953
N-[2-(4-chlorophenyl)ethyl]-4-(methylamino)butanamide
CID 61259854
3-(4-chloroanilino)-N-methylpropanamide
CID 10899951
N-[4-[2-(4-chlorophenyl)ethylamino]phenyl]butanamide
CID 112984106

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloroanilino)-N-[2-(4-chlorophenyl)ethyl]propanamide?
The IUPAC name of 3-(4-chloroanilino)-N-[2-(4-chlorophenyl)ethyl]propanamide (CID 109027936) is 3-(4-chloroanilino)-N-[2-(4-chlorophenyl)ethyl]propanamide.
What is the SMILES notation for 3-(4-chloroanilino)-N-[2-(4-chlorophenyl)ethyl]propanamide?
The canonical SMILES for 3-(4-chloroanilino)-N-[2-(4-chlorophenyl)ethyl]propanamide is O=C(CCNc1ccc(Cl)cc1)NCCc1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chloroanilino)-N-[2-(4-chlorophenyl)ethyl]propanamide?
The InChIKey is YIJZUAMJYLVSJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O/c18-14-3-1-13(2-4-14)9-11-21-17(22)10-12-20-16-7-5-15(19)6-8-16/h1-8,20H,9-12H2,(H,21,22).
What are the key properties of 3-(4-chloroanilino)-N-[2-(4-chlorophenyl)ethyl]propanamide?
3-(4-chloroanilino)-N-[2-(4-chlorophenyl)ethyl]propanamide has a molecular weight of 337.25 g/mol, XLogP of 4.15, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloroanilino)-N-[2-(4-chlorophenyl)ethyl]propanamide is sourced from PubChem (CID 109027936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).