3,5-dichloro-2-[(2-pyridin-2-ylacetyl)amino]benzoic acid

C14H10Cl2N2O3 — CID 43331451

IUPAC3,5-dichloro-2-[(2-pyridin-2-ylacetyl)amino]benzoic acid
SMILESO=C(Cc1ccccn1)Nc1c(Cl)cc(Cl)cc1C(=O)O
InChIInChI=1S/C14H10Cl2N2O3/c15-8-5-10(14(20)21)13(11(16)6-8)18-12(19)7-9-3-1-2-4-17-9/h1-6H,7H2,(H,18,19)(H,20,21)
InChIKeyLTBRCNDEMXZCTF-UHFFFAOYSA-N
MW325.15 g/mol
LogP3.27
Rot. Bonds4

About 3,5-dichloro-2-[(2-pyridin-2-ylacetyl)amino]benzoic acid

3,5-dichloro-2-[(2-pyridin-2-ylacetyl)amino]benzoic acid (PubChem CID 43331451) has the molecular formula C14H10Cl2N2O3 and a molecular weight of 325.15 g/mol. Its IUPAC name is 3,5-dichloro-2-[(2-pyridin-2-ylacetyl)amino]benzoic acid.

Molecular Properties

Compound Name3,5-dichloro-2-[(2-pyridin-2-ylacetyl)amino]benzoic acid
PubChem CID43331451
Molecular FormulaC14H10Cl2N2O3
Molecular Weight325.15 g/mol
Exact Mass324.01
IUPAC Name3,5-dichloro-2-[(2-pyridin-2-ylacetyl)amino]benzoic acid
SMILESO=C(Cc1ccccn1)Nc1c(Cl)cc(Cl)cc1C(=O)O
InChIInChI=1S/C14H10Cl2N2O3/c15-8-5-10(14(20)21)13(11(16)6-8)18-12(19)7-9-3-1-2-4-17-9/h1-6H,7H2,(H,18,19)(H,20,21)
InChIKeyLTBRCNDEMXZCTF-UHFFFAOYSA-N
XLogP3.27
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.15
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-2-[(2-pyridin-2-ylacetyl)amino]benzoic acid
CID 63112491
N-phenyl-2-pyridin-2-ylacetamide chloride
CID 21234777
5-bromo-2-[(2-pyridin-2-ylacetyl)amino]benzoic acid
CID 62074818
2-(but-3-enoylamino)-3,5-dichlorobenzoic acid
CID 55103432
N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-2-pyridin-2-ylacetamide
CID 177062026
N-(2-hydroxyphenyl)-2-pyridin-2-ylacetamide
CID 11746373
2-[[2-[acetyl(methyl)amino]acetyl]amino]-3,5-dichlorobenzoic acid
CID 43360198
N-[4-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]-2-pyridin-2-ylacetamide
CID 81260163
3-chloro-5-(pyridin-2-ylmethyl)benzoic acid
CID 107957282
N-(3-acetamidophenyl)-2-pyridin-2-ylacetamide
CID 110697004
3,5-dichloro-2-(9H-fluoren-9-ylmethoxycarbonylamino)benzoic acid
CID 63404936
2-chloro-5-(pyridin-2-ylmethylcarbamoylamino)benzoic acid
CID 61191580

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2-[(2-pyridin-2-ylacetyl)amino]benzoic acid?
The IUPAC name of 3,5-dichloro-2-[(2-pyridin-2-ylacetyl)amino]benzoic acid (CID 43331451) is 3,5-dichloro-2-[(2-pyridin-2-ylacetyl)amino]benzoic acid.
What is the SMILES notation for 3,5-dichloro-2-[(2-pyridin-2-ylacetyl)amino]benzoic acid?
The canonical SMILES for 3,5-dichloro-2-[(2-pyridin-2-ylacetyl)amino]benzoic acid is O=C(Cc1ccccn1)Nc1c(Cl)cc(Cl)cc1C(=O)O.
What is the InChIKey of 3,5-dichloro-2-[(2-pyridin-2-ylacetyl)amino]benzoic acid?
The InChIKey is LTBRCNDEMXZCTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2O3/c15-8-5-10(14(20)21)13(11(16)6-8)18-12(19)7-9-3-1-2-4-17-9/h1-6H,7H2,(H,18,19)(H,20,21).
What are the key properties of 3,5-dichloro-2-[(2-pyridin-2-ylacetyl)amino]benzoic acid?
3,5-dichloro-2-[(2-pyridin-2-ylacetyl)amino]benzoic acid has a molecular weight of 325.15 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-2-[(2-pyridin-2-ylacetyl)amino]benzoic acid is sourced from PubChem (CID 43331451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).