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

C15H14Cl2N2O — CID 43105358

IUPAC3-amino-N-(3,4-dichlorophenyl)-3-phenylpropanamide
SMILESNC(CC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccccc1
InChIInChI=1S/C15H14Cl2N2O/c16-12-7-6-11(8-13(12)17)19-15(20)9-14(18)10-4-2-1-3-5-10/h1-8,14H,9,18H2,(H,19,20)
InChIKeyILFFTGJWZWGDOK-UHFFFAOYSA-N
MW309.20 g/mol
LogP4.02
Rot. Bonds4

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

3-amino-N-(3,4-dichlorophenyl)-3-phenylpropanamide (PubChem CID 43105358) has the molecular formula C15H14Cl2N2O and a molecular weight of 309.20 g/mol. Its IUPAC name is 3-amino-N-(3,4-dichlorophenyl)-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-(3,4-dichlorophenyl)-3-phenylpropanamide
PubChem CID43105358
Molecular FormulaC15H14Cl2N2O
Molecular Weight309.20 g/mol
Exact Mass308.05
IUPAC Name3-amino-N-(3,4-dichlorophenyl)-3-phenylpropanamide
SMILESNC(CC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccccc1
InChIInChI=1S/C15H14Cl2N2O/c16-12-7-6-11(8-13(12)17)19-15(20)9-14(18)10-4-2-1-3-5-10/h1-8,14H,9,18H2,(H,19,20)
InChIKeyILFFTGJWZWGDOK-UHFFFAOYSA-N
XLogP4.02
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.20
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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3-acetamido-N-(3,4-dichlorophenyl)-3-phenylpropanamide
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CID 1125985
3,3-dichloro-N-(3,4-dichlorophenyl)propanamide
CID 67062966
4-[(3-amino-3-phenylpropanoyl)amino]-2-chloro-N-(2-methoxyethyl)benzamide;hydrochloride
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4-[(3-amino-3-phenylpropanoyl)amino]-2-chloro-N-(2-methylbutan-2-yl)benzamide
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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3,4-dichlorophenyl)-3-phenylpropanamide?
The IUPAC name of 3-amino-N-(3,4-dichlorophenyl)-3-phenylpropanamide (CID 43105358) is 3-amino-N-(3,4-dichlorophenyl)-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-(3,4-dichlorophenyl)-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-(3,4-dichlorophenyl)-3-phenylpropanamide is NC(CC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccccc1.
What is the InChIKey of 3-amino-N-(3,4-dichlorophenyl)-3-phenylpropanamide?
The InChIKey is ILFFTGJWZWGDOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O/c16-12-7-6-11(8-13(12)17)19-15(20)9-14(18)10-4-2-1-3-5-10/h1-8,14H,9,18H2,(H,19,20).
What are the key properties of 3-amino-N-(3,4-dichlorophenyl)-3-phenylpropanamide?
3-amino-N-(3,4-dichlorophenyl)-3-phenylpropanamide has a molecular weight of 309.20 g/mol, XLogP of 4.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3,4-dichlorophenyl)-3-phenylpropanamide is sourced from PubChem (CID 43105358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).