N-butyl-2-[[2-(4-chlorophenyl)acetyl]-[(4-chlorophenyl)methyl]amino]-2-phenylacetamide

C27H28Cl2N2O2 — CID 133237738

IUPACN-butyl-2-[[2-(4-chlorophenyl)acetyl]-[(4-chlorophenyl)methyl]amino]-2-phenylacetamide
SMILESCCCCNC(=O)C(c1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C27H28Cl2N2O2/c1-2-3-17-30-27(33)26(22-7-5-4-6-8-22)31(19-21-11-15-24(29)16-12-21)25(32)18-20-9-13-23(28)14-10-20/h4-16,26H,2-3,17-19H2,1H3,(H,30,33)
InChIKeyGNTWDHCARCTDDB-UHFFFAOYSA-N
MW483.44 g/mol
LogP6.22
Rot. Bonds10

About N-butyl-2-[[2-(4-chlorophenyl)acetyl]-[(4-chlorophenyl)methyl]amino]-2-phenylacetamide

N-butyl-2-[[2-(4-chlorophenyl)acetyl]-[(4-chlorophenyl)methyl]amino]-2-phenylacetamide (PubChem CID 133237738) has the molecular formula C27H28Cl2N2O2 and a molecular weight of 483.44 g/mol. Its IUPAC name is N-butyl-2-[[2-(4-chlorophenyl)acetyl]-[(4-chlorophenyl)methyl]amino]-2-phenylacetamide.

Molecular Properties

Compound NameN-butyl-2-[[2-(4-chlorophenyl)acetyl]-[(4-chlorophenyl)methyl]amino]-2-phenylacetamide
PubChem CID133237738
Molecular FormulaC27H28Cl2N2O2
Molecular Weight483.44 g/mol
Exact Mass482.15
IUPAC NameN-butyl-2-[[2-(4-chlorophenyl)acetyl]-[(4-chlorophenyl)methyl]amino]-2-phenylacetamide
SMILESCCCCNC(=O)C(c1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C27H28Cl2N2O2/c1-2-3-17-30-27(33)26(22-7-5-4-6-8-22)31(19-21-11-15-24(29)16-12-21)25(32)18-20-9-13-23(28)14-10-20/h4-16,26H,2-3,17-19H2,1H3,(H,30,33)
InChIKeyGNTWDHCARCTDDB-UHFFFAOYSA-N
XLogP6.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.44
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(4-chlorophenyl)acetyl]-[(4-chlorophenyl)methyl]amino]-N-methyl-2-phenylacetamide
CID 133237735
N-butyl-2-[(4-methoxyphenyl)methyl-(2-phenylacetyl)amino]-2-phenylacetamide
CID 133238775
2-[benzyl-[2-(4-chlorophenyl)acetyl]amino]-N-butyl-3-phenylpropanamide
CID 133152610
2-[(4-chlorophenyl)methyl-(2-phenylacetyl)amino]-2-phenyl-N-(3-propan-2-yloxypropyl)acetamide
CID 133237698
N-butyl-2-[(4-chlorophenyl)methyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]-2-phenylacetamide
CID 133237530
2-[benzyl-[2-(4-chlorophenyl)acetyl]amino]-2-phenyl-N-prop-2-enylacetamide
CID 133237193
(2S)-N-butyl-2-[[2-(4-chlorophenyl)acetyl]-[(4-methylphenyl)methyl]amino]-3-phenylpropanamide
CID 100603449
2-[[2-(4-chlorophenyl)acetyl]-[(4-chlorophenyl)methyl]amino]-N-[(2-methoxyphenyl)methyl]-2-phenylacetamide
CID 133237763
2-[(4-chlorophenyl)methyl-(2-phenylacetyl)amino]-N-propylpropanamide
CID 132656046
2-[benzyl-[2-(4-chlorophenyl)acetyl]amino]-N-propylpropanamide
CID 132656017
2-[benzyl-[2-(4-chlorophenyl)acetyl]amino]-N-[(2-methoxyphenyl)methyl]-2-phenylacetamide
CID 133237216
2-[benzyl-[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-butyl-2-phenylacetamide
CID 133236926

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[[2-(4-chlorophenyl)acetyl]-[(4-chlorophenyl)methyl]amino]-2-phenylacetamide?
The IUPAC name of N-butyl-2-[[2-(4-chlorophenyl)acetyl]-[(4-chlorophenyl)methyl]amino]-2-phenylacetamide (CID 133237738) is N-butyl-2-[[2-(4-chlorophenyl)acetyl]-[(4-chlorophenyl)methyl]amino]-2-phenylacetamide.
What is the SMILES notation for N-butyl-2-[[2-(4-chlorophenyl)acetyl]-[(4-chlorophenyl)methyl]amino]-2-phenylacetamide?
The canonical SMILES for N-butyl-2-[[2-(4-chlorophenyl)acetyl]-[(4-chlorophenyl)methyl]amino]-2-phenylacetamide is CCCCNC(=O)C(c1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of N-butyl-2-[[2-(4-chlorophenyl)acetyl]-[(4-chlorophenyl)methyl]amino]-2-phenylacetamide?
The InChIKey is GNTWDHCARCTDDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28Cl2N2O2/c1-2-3-17-30-27(33)26(22-7-5-4-6-8-22)31(19-21-11-15-24(29)16-12-21)25(32)18-20-9-13-23(28)14-10-20/h4-16,26H,2-3,17-19H2,1H3,(H,30,33).
What are the key properties of N-butyl-2-[[2-(4-chlorophenyl)acetyl]-[(4-chlorophenyl)methyl]amino]-2-phenylacetamide?
N-butyl-2-[[2-(4-chlorophenyl)acetyl]-[(4-chlorophenyl)methyl]amino]-2-phenylacetamide has a molecular weight of 483.44 g/mol, XLogP of 6.22, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[[2-(4-chlorophenyl)acetyl]-[(4-chlorophenyl)methyl]amino]-2-phenylacetamide is sourced from PubChem (CID 133237738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).