N-(3,4-dichlorophenyl)-3-phenylpropanamide

C15H13Cl2NO — CID 809034

IUPACN-(3,4-dichlorophenyl)-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H13Cl2NO/c16-13-8-7-12(10-14(13)17)18-15(19)9-6-11-4-2-1-3-5-11/h1-5,7-8,10H,6,9H2,(H,18,19)
InChIKeySJZINAMRXQCKNC-UHFFFAOYSA-N
MW294.18 g/mol
LogP4.56
Rot. Bonds4

About N-(3,4-dichlorophenyl)-3-phenylpropanamide

N-(3,4-dichlorophenyl)-3-phenylpropanamide (PubChem CID 809034) has the molecular formula C15H13Cl2NO and a molecular weight of 294.18 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-3-phenylpropanamide
PubChem CID809034
Molecular FormulaC15H13Cl2NO
Molecular Weight294.18 g/mol
Exact Mass293.04
IUPAC NameN-(3,4-dichlorophenyl)-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H13Cl2NO/c16-13-8-7-12(10-14(13)17)18-15(19)9-6-11-4-2-1-3-5-11/h1-5,7-8,10H,6,9H2,(H,18,19)
InChIKeySJZINAMRXQCKNC-UHFFFAOYSA-N
XLogP4.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.18
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-3-phenylpropanamide?
The IUPAC name of N-(3,4-dichlorophenyl)-3-phenylpropanamide (CID 809034) is N-(3,4-dichlorophenyl)-3-phenylpropanamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-3-phenylpropanamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-3-phenylpropanamide is O=C(CCc1ccccc1)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(3,4-dichlorophenyl)-3-phenylpropanamide?
The InChIKey is SJZINAMRXQCKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO/c16-13-8-7-12(10-14(13)17)18-15(19)9-6-11-4-2-1-3-5-11/h1-5,7-8,10H,6,9H2,(H,18,19).
What are the key properties of N-(3,4-dichlorophenyl)-3-phenylpropanamide?
N-(3,4-dichlorophenyl)-3-phenylpropanamide has a molecular weight of 294.18 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-3-phenylpropanamide is sourced from PubChem (CID 809034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).