4-amino-N-(2,4-dichlorophenyl)-4-phenylbutanamide

C16H16Cl2N2O — CID 63323928

IUPAC4-amino-N-(2,4-dichlorophenyl)-4-phenylbutanamide
SMILESNC(CCC(=O)Nc1ccc(Cl)cc1Cl)c1ccccc1
InChIInChI=1S/C16H16Cl2N2O/c17-12-6-8-15(13(18)10-12)20-16(21)9-7-14(19)11-4-2-1-3-5-11/h1-6,8,10,14H,7,9,19H2,(H,20,21)
InChIKeyVYERITSKHGQLEM-UHFFFAOYSA-N
MW323.22 g/mol
LogP4.41
Rot. Bonds5

About 4-amino-N-(2,4-dichlorophenyl)-4-phenylbutanamide

4-amino-N-(2,4-dichlorophenyl)-4-phenylbutanamide (PubChem CID 63323928) has the molecular formula C16H16Cl2N2O and a molecular weight of 323.22 g/mol. Its IUPAC name is 4-amino-N-(2,4-dichlorophenyl)-4-phenylbutanamide.

Molecular Properties

Compound Name4-amino-N-(2,4-dichlorophenyl)-4-phenylbutanamide
PubChem CID63323928
Molecular FormulaC16H16Cl2N2O
Molecular Weight323.22 g/mol
Exact Mass322.06
IUPAC Name4-amino-N-(2,4-dichlorophenyl)-4-phenylbutanamide
SMILESNC(CCC(=O)Nc1ccc(Cl)cc1Cl)c1ccccc1
InChIInChI=1S/C16H16Cl2N2O/c17-12-6-8-15(13(18)10-12)20-16(21)9-7-14(19)11-4-2-1-3-5-11/h1-6,8,10,14H,7,9,19H2,(H,20,21)
InChIKeyVYERITSKHGQLEM-UHFFFAOYSA-N
XLogP4.41
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.22
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[acetyl(1-phenylethyl)amino]-N-(2,4-dichlorophenyl)propanamide
CID 113119048
5-amino-N-(2,4-dichlorophenyl)-4-methylpentanamide
CID 82683232
[2-(2,4-dichloroanilino)-2-oxoethyl] 3,3-diphenylpropanoate
CID 2343937
5-(2,4-dichloroanilino)-2-ethyl-5-oxopentanoic acid
CID 3527974
4-amino-N-(3-fluoro-2-methylphenyl)-4-phenylbutanamide
CID 63324007
1-(2,4-dichlorophenyl)-3-(3,3-diphenylpropyl)urea
CID 4586942
3-amino-N-(2-chlorophenyl)-3-phenylpropanamide
CID 24695343
N-(2-chlorophenyl)-3-(2,4-dichloroanilino)propanamide
CID 109037852
3-[benzyl(methyl)amino]-N-(2,4-dichlorophenyl)propanamide
CID 109020669
5-chloro-N-(2,4-dichlorophenyl)pentanamide
CID 28727917
[2-(2,4-dichloroanilino)-2-oxoethyl] 2-methylpropanoate
CID 7782622
N-(3-amino-3-phenylpropyl)-2,5-dichlorobenzamide
CID 80507130

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,4-dichlorophenyl)-4-phenylbutanamide?
The IUPAC name of 4-amino-N-(2,4-dichlorophenyl)-4-phenylbutanamide (CID 63323928) is 4-amino-N-(2,4-dichlorophenyl)-4-phenylbutanamide.
What is the SMILES notation for 4-amino-N-(2,4-dichlorophenyl)-4-phenylbutanamide?
The canonical SMILES for 4-amino-N-(2,4-dichlorophenyl)-4-phenylbutanamide is NC(CCC(=O)Nc1ccc(Cl)cc1Cl)c1ccccc1.
What is the InChIKey of 4-amino-N-(2,4-dichlorophenyl)-4-phenylbutanamide?
The InChIKey is VYERITSKHGQLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O/c17-12-6-8-15(13(18)10-12)20-16(21)9-7-14(19)11-4-2-1-3-5-11/h1-6,8,10,14H,7,9,19H2,(H,20,21).
What are the key properties of 4-amino-N-(2,4-dichlorophenyl)-4-phenylbutanamide?
4-amino-N-(2,4-dichlorophenyl)-4-phenylbutanamide has a molecular weight of 323.22 g/mol, XLogP of 4.41, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,4-dichlorophenyl)-4-phenylbutanamide is sourced from PubChem (CID 63323928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).