N-[(4-chlorophenyl)methyl]-2,3,3-triphenylpropanamide

C28H24ClNO — CID 19165627

IUPACN-[(4-chlorophenyl)methyl]-2,3,3-triphenylpropanamide
SMILESO=C(NCc1ccc(Cl)cc1)C(c1ccccc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H24ClNO/c29-25-18-16-21(17-19-25)20-30-28(31)27(24-14-8-3-9-15-24)26(22-10-4-1-5-11-22)23-12-6-2-7-13-23/h1-19,26-27H,20H2,(H,30,31)
InChIKeyHMMUYFQRYAJEFT-UHFFFAOYSA-N
MW425.96 g/mol
LogP6.57
Rot. Bonds7

About N-[(4-chlorophenyl)methyl]-2,3,3-triphenylpropanamide

N-[(4-chlorophenyl)methyl]-2,3,3-triphenylpropanamide (PubChem CID 19165627) has the molecular formula C28H24ClNO and a molecular weight of 425.96 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2,3,3-triphenylpropanamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2,3,3-triphenylpropanamide
PubChem CID19165627
Molecular FormulaC28H24ClNO
Molecular Weight425.96 g/mol
Exact Mass425.15
IUPAC NameN-[(4-chlorophenyl)methyl]-2,3,3-triphenylpropanamide
SMILESO=C(NCc1ccc(Cl)cc1)C(c1ccccc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H24ClNO/c29-25-18-16-21(17-19-25)20-30-28(31)27(24-14-8-3-9-15-24)26(22-10-4-1-5-11-22)23-12-6-2-7-13-23/h1-19,26-27H,20H2,(H,30,31)
InChIKeyHMMUYFQRYAJEFT-UHFFFAOYSA-N
XLogP6.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.96
LogP ≤ 56.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-benzyl-2,2-bis(4-chlorophenyl)acetamide
CID 1144143
N-[(4-chlorophenyl)methyl]-2-[ethyl(methyl)amino]-2-phenylacetamide
CID 71933759
N-[(4-chlorophenyl)methyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 133160999
3-amino-N-[(4-chlorophenyl)methyl]-3-phenylpropanamide
CID 43208733
2-(benzhydrylamino)-N-[(4-chlorophenyl)methyl]acetamide
CID 8545779
(2R)-2-anilino-N-[(4-chlorophenyl)methyl]propanamide
CID 25346914
1-[(4-chlorophenyl)methyl]-3-(1-phenylethyl)urea
CID 108899206
N-[(4-chlorophenyl)methyl]-N'-(1-phenylethyl)oxamide
CID 2844386
N-[(4-chlorophenyl)methyl]-2-phenyl-2-[[4-(trifluoromethyl)phenyl]methylamino]acetamide
CID 68967185
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-2-(dimethylamino)-2-phenylacetamide
CID 110625358
(2R)-2-[(4-acetylphenyl)sulfonylamino]-N-[(4-chlorophenyl)methyl]-2-phenylacetamide
CID 51961574
(2S)-N-[(4-chlorophenyl)methyl]-3-hydroxy-2-[(2-phenylacetyl)amino]propanamide
CID 6667382

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2,3,3-triphenylpropanamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2,3,3-triphenylpropanamide (CID 19165627) is N-[(4-chlorophenyl)methyl]-2,3,3-triphenylpropanamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2,3,3-triphenylpropanamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2,3,3-triphenylpropanamide is O=C(NCc1ccc(Cl)cc1)C(c1ccccc1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2,3,3-triphenylpropanamide?
The InChIKey is HMMUYFQRYAJEFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24ClNO/c29-25-18-16-21(17-19-25)20-30-28(31)27(24-14-8-3-9-15-24)26(22-10-4-1-5-11-22)23-12-6-2-7-13-23/h1-19,26-27H,20H2,(H,30,31).
What are the key properties of N-[(4-chlorophenyl)methyl]-2,3,3-triphenylpropanamide?
N-[(4-chlorophenyl)methyl]-2,3,3-triphenylpropanamide has a molecular weight of 425.96 g/mol, XLogP of 6.57, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2,3,3-triphenylpropanamide is sourced from PubChem (CID 19165627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).