2-(3-chloro-N-(2-oxo-2-phenylacetyl)anilino)-3-(4-chlorophenyl)-N-cyclohexyl-3-oxopropanamide

C29H26Cl2N2O4 — CID 11284070

IUPAC2-(3-chloro-N-(2-oxo-2-phenylacetyl)anilino)-3-(4-chlorophenyl)-N-cyclohexyl-3-oxopropanamide
SMILESO=C(C(=O)N(c1cccc(Cl)c1)C(C(=O)NC1CCCCC1)C(=O)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C29H26Cl2N2O4/c30-21-16-14-20(15-17-21)26(34)25(28(36)32-23-11-5-2-6-12-23)33(24-13-7-10-22(31)18-24)29(37)27(35)19-8-3-1-4-9-19/h1,3-4,7-10,13-18,23,25H,2,5-6,11-12H2,(H,32,36)
InChIKeyGHHQTVXFSUQFSF-UHFFFAOYSA-N
MW537.44 g/mol
LogP5.91
Rot. Bonds8

About 2-(3-chloro-N-(2-oxo-2-phenylacetyl)anilino)-3-(4-chlorophenyl)-N-cyclohexyl-3-oxopropanamide

2-(3-chloro-N-(2-oxo-2-phenylacetyl)anilino)-3-(4-chlorophenyl)-N-cyclohexyl-3-oxopropanamide (PubChem CID 11284070) has the molecular formula C29H26Cl2N2O4 and a molecular weight of 537.44 g/mol. Its IUPAC name is 2-(3-chloro-N-(2-oxo-2-phenylacetyl)anilino)-3-(4-chlorophenyl)-N-cyclohexyl-3-oxopropanamide.

Molecular Properties

Compound Name2-(3-chloro-N-(2-oxo-2-phenylacetyl)anilino)-3-(4-chlorophenyl)-N-cyclohexyl-3-oxopropanamide
PubChem CID11284070
Molecular FormulaC29H26Cl2N2O4
Molecular Weight537.44 g/mol
Exact Mass536.13
IUPAC Name2-(3-chloro-N-(2-oxo-2-phenylacetyl)anilino)-3-(4-chlorophenyl)-N-cyclohexyl-3-oxopropanamide
SMILESO=C(C(=O)N(c1cccc(Cl)c1)C(C(=O)NC1CCCCC1)C(=O)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C29H26Cl2N2O4/c30-21-16-14-20(15-17-21)26(34)25(28(36)32-23-11-5-2-6-12-23)33(24-13-7-10-22(31)18-24)29(37)27(35)19-8-3-1-4-9-19/h1,3-4,7-10,13-18,23,25H,2,5-6,11-12H2,(H,32,36)
InChIKeyGHHQTVXFSUQFSF-UHFFFAOYSA-N
XLogP5.91
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.44
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(3-acetamidophenyl)-4-chloro-N-[(1S)-1-cyclohexyl-2-(cyclohexylamino)-2-oxoethyl]benzamide
CID 126962407
N-(3-chlorophenyl)-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]furan-2-carboxamide
CID 1441687
N-cyclohexyl-3-(4-methylphenyl)-2-(4-methyl-N-(2,2,2-trichloroacetyl)anilino)-3-oxopropanamide
CID 135009695
(2R)-2-(5-chloro-2-oxo-1-pyridinyl)-N-cyclohexyl-3-oxo-3-phenylpropanamide
CID 7277060
4-N-(3-chlorophenyl)-1-N-cycloheptylbenzene-1,4-dicarboxamide
CID 109048558
1-N-(4-chlorophenyl)-3-N-cycloheptylbenzene-1,3-dicarboxamide
CID 109056113
N-cyclohexyl-2-oxo-2-phenylacetamide
CID 11436176
(2S)-2-(3-chloro-N-(2-chloroacetyl)anilino)-N-cyclohexyl-2-pyridin-3-ylacetamide
CID 92534555
(2S)-2-(3-chloro-N-(2-chloroacetyl)anilino)-N-cyclohexyl-2-(4-methoxyphenyl)acetamide
CID 51439690
3-[(3-chlorobenzoyl)amino]-N-cyclohexylbenzamide
CID 17170567
4-(3-chloro-N-methylsulfonylanilino)-N-cyclooctylbutanamide
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2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-cyclopentylacetamide
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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-N-(2-oxo-2-phenylacetyl)anilino)-3-(4-chlorophenyl)-N-cyclohexyl-3-oxopropanamide?
The IUPAC name of 2-(3-chloro-N-(2-oxo-2-phenylacetyl)anilino)-3-(4-chlorophenyl)-N-cyclohexyl-3-oxopropanamide (CID 11284070) is 2-(3-chloro-N-(2-oxo-2-phenylacetyl)anilino)-3-(4-chlorophenyl)-N-cyclohexyl-3-oxopropanamide.
What is the SMILES notation for 2-(3-chloro-N-(2-oxo-2-phenylacetyl)anilino)-3-(4-chlorophenyl)-N-cyclohexyl-3-oxopropanamide?
The canonical SMILES for 2-(3-chloro-N-(2-oxo-2-phenylacetyl)anilino)-3-(4-chlorophenyl)-N-cyclohexyl-3-oxopropanamide is O=C(C(=O)N(c1cccc(Cl)c1)C(C(=O)NC1CCCCC1)C(=O)c1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of 2-(3-chloro-N-(2-oxo-2-phenylacetyl)anilino)-3-(4-chlorophenyl)-N-cyclohexyl-3-oxopropanamide?
The InChIKey is GHHQTVXFSUQFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26Cl2N2O4/c30-21-16-14-20(15-17-21)26(34)25(28(36)32-23-11-5-2-6-12-23)33(24-13-7-10-22(31)18-24)29(37)27(35)19-8-3-1-4-9-19/h1,3-4,7-10,13-18,23,25H,2,5-6,11-12H2,(H,32,36).
What are the key properties of 2-(3-chloro-N-(2-oxo-2-phenylacetyl)anilino)-3-(4-chlorophenyl)-N-cyclohexyl-3-oxopropanamide?
2-(3-chloro-N-(2-oxo-2-phenylacetyl)anilino)-3-(4-chlorophenyl)-N-cyclohexyl-3-oxopropanamide has a molecular weight of 537.44 g/mol, XLogP of 5.91, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-N-(2-oxo-2-phenylacetyl)anilino)-3-(4-chlorophenyl)-N-cyclohexyl-3-oxopropanamide is sourced from PubChem (CID 11284070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).