3-[[2,2-bis(4-chlorophenyl)acetyl]amino]benzoate

C21H14Cl2NO3- — CID 5008293

IUPAC3-[[2,2-bis(4-chlorophenyl)acetyl]amino]benzoate
SMILESO=C([O-])c1cccc(NC(=O)C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)c1
InChIInChI=1S/C21H15Cl2NO3/c22-16-8-4-13(5-9-16)19(14-6-10-17(23)11-7-14)20(25)24-18-3-1-2-15(12-18)21(26)27/h1-12,19H,(H,24,25)(H,26,27)/p-1
InChIKeyOYEIBTUZESSEEE-UHFFFAOYSA-M
MW399.25 g/mol
LogP4.13
Rot. Bonds5

About 3-[[2,2-bis(4-chlorophenyl)acetyl]amino]benzoate

3-[[2,2-bis(4-chlorophenyl)acetyl]amino]benzoate (PubChem CID 5008293) has the molecular formula C21H14Cl2NO3- and a molecular weight of 399.25 g/mol. Its IUPAC name is 3-[[2,2-bis(4-chlorophenyl)acetyl]amino]benzoate.

Molecular Properties

Compound Name3-[[2,2-bis(4-chlorophenyl)acetyl]amino]benzoate
PubChem CID5008293
Molecular FormulaC21H14Cl2NO3-
Molecular Weight399.25 g/mol
Exact Mass398.04
IUPAC Name3-[[2,2-bis(4-chlorophenyl)acetyl]amino]benzoate
SMILESO=C([O-])c1cccc(NC(=O)C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)c1
InChIInChI=1S/C21H15Cl2NO3/c22-16-8-4-13(5-9-16)19(14-6-10-17(23)11-7-14)20(25)24-18-3-1-2-15(12-18)21(26)27/h1-12,19H,(H,24,25)(H,26,27)/p-1
InChIKeyOYEIBTUZESSEEE-UHFFFAOYSA-M
XLogP4.13
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.25
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[3-[(3-chlorobenzoyl)amino]benzoyl]amino]benzoate
CID 3383614
3-[[3-(2-ethylbutanoylamino)benzoyl]amino]benzoate
CID 6978042
2,4-dichloro-N-[3-[(2,2-diphenylacetyl)amino]phenyl]benzamide
CID 3385314
(2S)-N-(3-chlorophenyl)-2-(4-chlorophenyl)-2-formamidoacetamide
CID 685016
3-[(2,2-diphenylacetyl)amino]-N-(1-phenylethyl)benzamide
CID 43877741
2,2-diphenyl-N-[3-(phenylcarbamoylamino)phenyl]acetamide
CID 18293083
N-(3-chlorophenyl)-4-propan-2-ylbenzamide
CID 1406456
N-cyclopropyl-3-[(2,2-diphenylacetyl)amino]benzamide
CID 16567529
N-tert-butyl-3-[(4-chlorobenzoyl)amino]benzamide
CID 879535
6-N-(3-acetylphenyl)-2-N-(4-chlorophenyl)pyridine-2,6-dicarboxamide
CID 109100856
3-[[2-chloro-5-(1,2,4-triazol-4-yl)benzoyl]amino]benzoate
CID 6955830
3-[2-(4-chlorophenoxy)propanoylamino]benzoic acid
CID 19176856

Frequently Asked Questions

What is the IUPAC name of 3-[[2,2-bis(4-chlorophenyl)acetyl]amino]benzoate?
The IUPAC name of 3-[[2,2-bis(4-chlorophenyl)acetyl]amino]benzoate (CID 5008293) is 3-[[2,2-bis(4-chlorophenyl)acetyl]amino]benzoate.
What is the SMILES notation for 3-[[2,2-bis(4-chlorophenyl)acetyl]amino]benzoate?
The canonical SMILES for 3-[[2,2-bis(4-chlorophenyl)acetyl]amino]benzoate is O=C([O-])c1cccc(NC(=O)C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)c1.
What is the InChIKey of 3-[[2,2-bis(4-chlorophenyl)acetyl]amino]benzoate?
The InChIKey is OYEIBTUZESSEEE-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H15Cl2NO3/c22-16-8-4-13(5-9-16)19(14-6-10-17(23)11-7-14)20(25)24-18-3-1-2-15(12-18)21(26)27/h1-12,19H,(H,24,25)(H,26,27)/p-1.
What are the key properties of 3-[[2,2-bis(4-chlorophenyl)acetyl]amino]benzoate?
3-[[2,2-bis(4-chlorophenyl)acetyl]amino]benzoate has a molecular weight of 399.25 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2,2-bis(4-chlorophenyl)acetyl]amino]benzoate is sourced from PubChem (CID 5008293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).