2-[5-[(3-chlorobenzoyl)amino]-2-pyridinyl]acetic acid

C14H11ClN2O3 — CID 107338354

IUPAC2-[5-[(3-chlorobenzoyl)amino]-2-pyridinyl]acetic acid
SMILESO=C(O)Cc1ccc(NC(=O)c2cccc(Cl)c2)cn1
InChIInChI=1S/C14H11ClN2O3/c15-10-3-1-2-9(6-10)14(20)17-12-5-4-11(16-8-12)7-13(18)19/h1-6,8H,7H2,(H,17,20)(H,18,19)
InChIKeyUPIMQXZMEXFOKJ-UHFFFAOYSA-N
MW290.71 g/mol
LogP2.61
Rot. Bonds4

About 2-[5-[(3-chlorobenzoyl)amino]-2-pyridinyl]acetic acid

2-[5-[(3-chlorobenzoyl)amino]-2-pyridinyl]acetic acid (PubChem CID 107338354) has the molecular formula C14H11ClN2O3 and a molecular weight of 290.71 g/mol. Its IUPAC name is 2-[5-[(3-chlorobenzoyl)amino]-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[5-[(3-chlorobenzoyl)amino]-2-pyridinyl]acetic acid
PubChem CID107338354
Molecular FormulaC14H11ClN2O3
Molecular Weight290.71 g/mol
Exact Mass290.05
IUPAC Name2-[5-[(3-chlorobenzoyl)amino]-2-pyridinyl]acetic acid
SMILESO=C(O)Cc1ccc(NC(=O)c2cccc(Cl)c2)cn1
InChIInChI=1S/C14H11ClN2O3/c15-10-3-1-2-9(6-10)14(20)17-12-5-4-11(16-8-12)7-13(18)19/h1-6,8H,7H2,(H,17,20)(H,18,19)
InChIKeyUPIMQXZMEXFOKJ-UHFFFAOYSA-N
XLogP2.61
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.71
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(6-amino-3-pyridinyl)-3-chlorobenzamide
CID 62899569
2-[5-[(4-chloro-3-methylbenzoyl)amino]-2-pyridinyl]acetic acid
CID 107339418
2-[3-[(3-chlorobenzoyl)amino]phenoxy]acetic acid
CID 61058711
N-[6-(butan-2-ylamino)-3-pyridinyl]-3-chlorobenzamide
CID 113009751
2-[5-[(4-chloro-1-ethylpyrrole-2-carbonyl)amino]-2-pyridinyl]acetic acid
CID 107338885
3-chloro-N-[3-[(3-chlorobenzoyl)amino]phenyl]benzamide
CID 1369981
3-chloro-N-quinolin-3-ylbenzamide
CID 3284385
2-[5-[(2-bromofuran-3-carbonyl)amino]-2-pyridinyl]acetic acid
CID 107338762
3-chloro-N-[4-(hydrazinecarbonyl)phenyl]benzamide
CID 25219116
3-chloro-N-(4-methylphenyl)benzamide
CID 722375
3-chloro-N-pyridin-4-ylbenzamide
CID 849128
2-[5-[(5-bromo-2-methylbenzoyl)amino]-2-pyridinyl]acetic acid
CID 107339399

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(3-chlorobenzoyl)amino]-2-pyridinyl]acetic acid?
The IUPAC name of 2-[5-[(3-chlorobenzoyl)amino]-2-pyridinyl]acetic acid (CID 107338354) is 2-[5-[(3-chlorobenzoyl)amino]-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[5-[(3-chlorobenzoyl)amino]-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[5-[(3-chlorobenzoyl)amino]-2-pyridinyl]acetic acid is O=C(O)Cc1ccc(NC(=O)c2cccc(Cl)c2)cn1.
What is the InChIKey of 2-[5-[(3-chlorobenzoyl)amino]-2-pyridinyl]acetic acid?
The InChIKey is UPIMQXZMEXFOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O3/c15-10-3-1-2-9(6-10)14(20)17-12-5-4-11(16-8-12)7-13(18)19/h1-6,8H,7H2,(H,17,20)(H,18,19).
What are the key properties of 2-[5-[(3-chlorobenzoyl)amino]-2-pyridinyl]acetic acid?
2-[5-[(3-chlorobenzoyl)amino]-2-pyridinyl]acetic acid has a molecular weight of 290.71 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(3-chlorobenzoyl)amino]-2-pyridinyl]acetic acid is sourced from PubChem (CID 107338354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).