2,4-dichloro-5-[[2-(4-chlorophenyl)acetyl]amino]benzoic acid

C15H10Cl3NO3 — CID 28666359

IUPAC2,4-dichloro-5-[[2-(4-chlorophenyl)acetyl]amino]benzoic acid
SMILESO=C(Cc1ccc(Cl)cc1)Nc1cc(C(=O)O)c(Cl)cc1Cl
InChIInChI=1S/C15H10Cl3NO3/c16-9-3-1-8(2-4-9)5-14(20)19-13-6-10(15(21)22)11(17)7-12(13)18/h1-4,6-7H,5H2,(H,19,20)(H,21,22)
InChIKeyMQILOMIDQRPFCB-UHFFFAOYSA-N
MW358.61 g/mol
LogP4.53
Rot. Bonds4

About 2,4-dichloro-5-[[2-(4-chlorophenyl)acetyl]amino]benzoic acid

2,4-dichloro-5-[[2-(4-chlorophenyl)acetyl]amino]benzoic acid (PubChem CID 28666359) has the molecular formula C15H10Cl3NO3 and a molecular weight of 358.61 g/mol. Its IUPAC name is 2,4-dichloro-5-[[2-(4-chlorophenyl)acetyl]amino]benzoic acid.

Molecular Properties

Compound Name2,4-dichloro-5-[[2-(4-chlorophenyl)acetyl]amino]benzoic acid
PubChem CID28666359
Molecular FormulaC15H10Cl3NO3
Molecular Weight358.61 g/mol
Exact Mass356.97
IUPAC Name2,4-dichloro-5-[[2-(4-chlorophenyl)acetyl]amino]benzoic acid
SMILESO=C(Cc1ccc(Cl)cc1)Nc1cc(C(=O)O)c(Cl)cc1Cl
InChIInChI=1S/C15H10Cl3NO3/c16-9-3-1-8(2-4-9)5-14(20)19-13-6-10(15(21)22)11(17)7-12(13)18/h1-4,6-7H,5H2,(H,19,20)(H,21,22)
InChIKeyMQILOMIDQRPFCB-UHFFFAOYSA-N
XLogP4.53
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.61
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-[[2-(4-hydroxyphenyl)acetyl]amino]benzoic acid
CID 28934159
4-chloro-2-[(2-phenylacetyl)amino]benzoic acid
CID 3880553
N-(4-bromo-2-chlorophenyl)-2-(4-chlorophenyl)acetamide
CID 1310243
3-[[2-(4-chlorophenyl)acetyl]amino]-2-methylbenzoic acid
CID 974933
2-(4-fluorophenyl)-N-(2,4,5-trichlorophenyl)acetamide
CID 797745
2-chloro-6-[[2-(4-chlorophenyl)acetyl]amino]benzoic acid
CID 63724266
4-chloro-3-[[2-(4-chlorophenyl)acetyl]amino]benzamide
CID 50875886
N-(5-chloro-2-hydroxyphenyl)-2-(4-chlorophenyl)acetamide
CID 1262869
N-(2,5-dichlorophenyl)-2-(4-sulfanylphenyl)acetamide
CID 107019725
3-[[2-(4-chlorophenyl)acetyl]amino]-4-methylbenzoic acid
CID 893334
N-(2-chloro-5-nitrophenyl)-2-(4-chlorophenyl)acetamide
CID 4048119
2,4-dichloro-N-[4-[[2-(4-chlorophenyl)acetyl]amino]phenyl]benzamide
CID 1348326

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-[[2-(4-chlorophenyl)acetyl]amino]benzoic acid?
The IUPAC name of 2,4-dichloro-5-[[2-(4-chlorophenyl)acetyl]amino]benzoic acid (CID 28666359) is 2,4-dichloro-5-[[2-(4-chlorophenyl)acetyl]amino]benzoic acid.
What is the SMILES notation for 2,4-dichloro-5-[[2-(4-chlorophenyl)acetyl]amino]benzoic acid?
The canonical SMILES for 2,4-dichloro-5-[[2-(4-chlorophenyl)acetyl]amino]benzoic acid is O=C(Cc1ccc(Cl)cc1)Nc1cc(C(=O)O)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-5-[[2-(4-chlorophenyl)acetyl]amino]benzoic acid?
The InChIKey is MQILOMIDQRPFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl3NO3/c16-9-3-1-8(2-4-9)5-14(20)19-13-6-10(15(21)22)11(17)7-12(13)18/h1-4,6-7H,5H2,(H,19,20)(H,21,22).
What are the key properties of 2,4-dichloro-5-[[2-(4-chlorophenyl)acetyl]amino]benzoic acid?
2,4-dichloro-5-[[2-(4-chlorophenyl)acetyl]amino]benzoic acid has a molecular weight of 358.61 g/mol, XLogP of 4.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-[[2-(4-chlorophenyl)acetyl]amino]benzoic acid is sourced from PubChem (CID 28666359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).