3-(4-chlorophenyl)-N-(4-ethoxyphenyl)-2,2-diphenylpropanamide

C29H26ClNO2 — CID 100781828

IUPAC3-(4-chlorophenyl)-N-(4-ethoxyphenyl)-2,2-diphenylpropanamide
SMILESCCOc1ccc(NC(=O)C(Cc2ccc(Cl)cc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C29H26ClNO2/c1-2-33-27-19-17-26(18-20-27)31-28(32)29(23-9-5-3-6-10-23,24-11-7-4-8-12-24)21-22-13-15-25(30)16-14-22/h3-20H,2,21H2,1H3,(H,31,32)
InChIKeyMFXBRKVJLQBBBP-UHFFFAOYSA-N
MW455.99 g/mol
LogP6.91
Rot. Bonds8

About 3-(4-chlorophenyl)-N-(4-ethoxyphenyl)-2,2-diphenylpropanamide

3-(4-chlorophenyl)-N-(4-ethoxyphenyl)-2,2-diphenylpropanamide (PubChem CID 100781828) has the molecular formula C29H26ClNO2 and a molecular weight of 455.99 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-(4-ethoxyphenyl)-2,2-diphenylpropanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-(4-ethoxyphenyl)-2,2-diphenylpropanamide
PubChem CID100781828
Molecular FormulaC29H26ClNO2
Molecular Weight455.99 g/mol
Exact Mass455.17
IUPAC Name3-(4-chlorophenyl)-N-(4-ethoxyphenyl)-2,2-diphenylpropanamide
SMILESCCOc1ccc(NC(=O)C(Cc2ccc(Cl)cc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C29H26ClNO2/c1-2-33-27-19-17-26(18-20-27)31-28(32)29(23-9-5-3-6-10-23,24-11-7-4-8-12-24)21-22-13-15-25(30)16-14-22/h3-20H,2,21H2,1H3,(H,31,32)
InChIKeyMFXBRKVJLQBBBP-UHFFFAOYSA-N
XLogP6.91
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.99
LogP ≤ 56.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-methylphenyl)-2,2-diphenyl-N-(4-propan-2-yloxyphenyl)propanamide
CID 100781946
ethyl 2-benzyl-3-(4-chloroanilino)-3-oxo-2-phenylpropanoate
CID 71516313
1-(4-chlorophenyl)-3-[(4-ethoxyphenoxy)methyl]urea
CID 108890719
1-(3-chlorophenyl)-3-(4-ethoxyphenyl)urea;1-(4-ethoxyphenyl)-3-phenylurea
CID 69341761
ethyl 2-[4-(2,2-diphenylpropanoylamino)phenoxy]acetate
CID 100781586
2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-(4-ethoxyphenyl)acetamide
CID 9167171
1-N-(4-chlorophenyl)-2-N-(4-ethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109142941
5-(4-chlorophenyl)-N-(4-ethoxyphenyl)furan-2-carboxamide
CID 1490282
3-amino-N-(4-ethoxyphenyl)-2,2-dimethylpropanamide;hydrochloride
CID 119670707
1-[2-(4-chlorophenoxy)ethyl]-3-(4-ethoxyphenyl)urea
CID 112970962
2-(4-chlorophenoxy)-N-(4-ethylphenyl)-2-methylpropanamide
CID 887329
2-benzyl-N-(4-methoxyphenyl)-2,3-diphenylpropanamide
CID 100782798

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-(4-ethoxyphenyl)-2,2-diphenylpropanamide?
The IUPAC name of 3-(4-chlorophenyl)-N-(4-ethoxyphenyl)-2,2-diphenylpropanamide (CID 100781828) is 3-(4-chlorophenyl)-N-(4-ethoxyphenyl)-2,2-diphenylpropanamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-(4-ethoxyphenyl)-2,2-diphenylpropanamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-(4-ethoxyphenyl)-2,2-diphenylpropanamide is CCOc1ccc(NC(=O)C(Cc2ccc(Cl)cc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-N-(4-ethoxyphenyl)-2,2-diphenylpropanamide?
The InChIKey is MFXBRKVJLQBBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26ClNO2/c1-2-33-27-19-17-26(18-20-27)31-28(32)29(23-9-5-3-6-10-23,24-11-7-4-8-12-24)21-22-13-15-25(30)16-14-22/h3-20H,2,21H2,1H3,(H,31,32).
What are the key properties of 3-(4-chlorophenyl)-N-(4-ethoxyphenyl)-2,2-diphenylpropanamide?
3-(4-chlorophenyl)-N-(4-ethoxyphenyl)-2,2-diphenylpropanamide has a molecular weight of 455.99 g/mol, XLogP of 6.91, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-(4-ethoxyphenyl)-2,2-diphenylpropanamide is sourced from PubChem (CID 100781828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).