2-chloro-4-(oxolan-3-ylamino)benzoic acid

C11H12ClNO3 — CID 80715849

IUPAC2-chloro-4-(oxolan-3-ylamino)benzoic acid
SMILESO=C(O)c1ccc(NC2CCOC2)cc1Cl
InChIInChI=1S/C11H12ClNO3/c12-10-5-7(1-2-9(10)11(14)15)13-8-3-4-16-6-8/h1-2,5,8,13H,3-4,6H2,(H,14,15)
InChIKeyGFPZPVZYGPNEOO-UHFFFAOYSA-N
MW241.67 g/mol
LogP2.24
Rot. Bonds3

About 2-chloro-4-(oxolan-3-ylamino)benzoic acid

2-chloro-4-(oxolan-3-ylamino)benzoic acid (PubChem CID 80715849) has the molecular formula C11H12ClNO3 and a molecular weight of 241.67 g/mol. Its IUPAC name is 2-chloro-4-(oxolan-3-ylamino)benzoic acid.

Molecular Properties

Compound Name2-chloro-4-(oxolan-3-ylamino)benzoic acid
PubChem CID80715849
Molecular FormulaC11H12ClNO3
Molecular Weight241.67 g/mol
Exact Mass241.05
IUPAC Name2-chloro-4-(oxolan-3-ylamino)benzoic acid
SMILESO=C(O)c1ccc(NC2CCOC2)cc1Cl
InChIInChI=1S/C11H12ClNO3/c12-10-5-7(1-2-9(10)11(14)15)13-8-3-4-16-6-8/h1-2,5,8,13H,3-4,6H2,(H,14,15)
InChIKeyGFPZPVZYGPNEOO-UHFFFAOYSA-N
XLogP2.24
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.67
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4-(oxolan-3-ylamino)benzoic acid
CID 81281891
2-chloro-4-(oxan-4-ylcarbamoylamino)benzoic acid
CID 61399256
N-[2-chloro-4-(oxolan-3-ylamino)phenyl]acetamide
CID 63331642
4-chloro-2-(oxolan-3-ylamino)benzoic acid
CID 80716241
2-chloro-N,N-dimethyl-5-(oxolan-3-ylamino)benzamide
CID 63335405
2-chloro-4-[(3-methylcyclopentyl)amino]benzoic acid
CID 114541224
2-chloro-1-N,1-N-dimethyl-4-N-(oxolan-3-yl)benzene-1,4-diamine
CID 63335531
2-chloro-4-(oxan-4-ylamino)benzenecarbothioamide
CID 62948116
2-chloro-4-[(4-methylcycloheptyl)amino]benzoic acid
CID 114101995
2-amino-5-(oxolan-3-ylamino)benzamide
CID 80713796
4-bromo-2-(oxolan-3-ylamino)benzoic acid
CID 114907458
2-chloro-4-[(3-methoxycyclopentyl)amino]benzoic acid
CID 114118376

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(oxolan-3-ylamino)benzoic acid?
The IUPAC name of 2-chloro-4-(oxolan-3-ylamino)benzoic acid (CID 80715849) is 2-chloro-4-(oxolan-3-ylamino)benzoic acid.
What is the SMILES notation for 2-chloro-4-(oxolan-3-ylamino)benzoic acid?
The canonical SMILES for 2-chloro-4-(oxolan-3-ylamino)benzoic acid is O=C(O)c1ccc(NC2CCOC2)cc1Cl.
What is the InChIKey of 2-chloro-4-(oxolan-3-ylamino)benzoic acid?
The InChIKey is GFPZPVZYGPNEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO3/c12-10-5-7(1-2-9(10)11(14)15)13-8-3-4-16-6-8/h1-2,5,8,13H,3-4,6H2,(H,14,15).
What are the key properties of 2-chloro-4-(oxolan-3-ylamino)benzoic acid?
2-chloro-4-(oxolan-3-ylamino)benzoic acid has a molecular weight of 241.67 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(oxolan-3-ylamino)benzoic acid is sourced from PubChem (CID 80715849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).