2-[3-[(3-chlorobenzoyl)amino]phenoxy]acetic acid

C15H12ClNO4 — CID 61058711

IUPAC2-[3-[(3-chlorobenzoyl)amino]phenoxy]acetic acid
SMILESO=C(O)COc1cccc(NC(=O)c2cccc(Cl)c2)c1
InChIInChI=1S/C15H12ClNO4/c16-11-4-1-3-10(7-11)15(20)17-12-5-2-6-13(8-12)21-9-14(18)19/h1-8H,9H2,(H,17,20)(H,18,19)
InChIKeyAHBRPNYPWYLUPV-UHFFFAOYSA-N
MW305.72 g/mol
LogP3.06
Rot. Bonds5

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

2-[3-[(3-chlorobenzoyl)amino]phenoxy]acetic acid (PubChem CID 61058711) has the molecular formula C15H12ClNO4 and a molecular weight of 305.72 g/mol. Its IUPAC name is 2-[3-[(3-chlorobenzoyl)amino]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-[(3-chlorobenzoyl)amino]phenoxy]acetic acid
PubChem CID61058711
Molecular FormulaC15H12ClNO4
Molecular Weight305.72 g/mol
Exact Mass305.05
IUPAC Name2-[3-[(3-chlorobenzoyl)amino]phenoxy]acetic acid
SMILESO=C(O)COc1cccc(NC(=O)c2cccc(Cl)c2)c1
InChIInChI=1S/C15H12ClNO4/c16-11-4-1-3-10(7-11)15(20)17-12-5-2-6-13(8-12)21-9-14(18)19/h1-8H,9H2,(H,17,20)(H,18,19)
InChIKeyAHBRPNYPWYLUPV-UHFFFAOYSA-N
XLogP3.06
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.72
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[3-(2-methylprop-2-enoxy)phenyl]benzamide
CID 17122474
2-[3-[(3-aminobenzoyl)amino]phenoxy]acetic acid
CID 63772021
2-[3-[(4-chloropyridine-2-carbonyl)amino]phenoxy]acetic acid
CID 61058340
3-chloro-N-(3-hexoxyphenyl)benzamide
CID 17094792
2-[3-[(4-fluorophenyl)carbamoyl]phenoxy]acetic acid
CID 28762936
3-chloro-N-[3-[(3-chlorobenzoyl)amino]phenyl]benzamide
CID 1369981
3-chloro-N-[3-(thiophen-3-ylmethoxy)phenyl]benzamide
CID 174587955
3,5-dichloro-N-[3-(2-phenoxyethoxy)phenyl]benzamide
CID 17133560
2-[3-(phenylcarbamoylamino)phenoxy]acetic acid
CID 61057845
N-[4-[(3-chlorobenzoyl)amino]phenyl]-3-propoxybenzamide
CID 2289371
2-[3-[[4-(2,2-dimethylpropanoylamino)benzoyl]amino]phenoxy]acetic acid
CID 17297148
2-[3-[(5-fluoropyridine-3-carbonyl)amino]phenoxy]acetic acid
CID 104785523

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3-chlorobenzoyl)amino]phenoxy]acetic acid?
The IUPAC name of 2-[3-[(3-chlorobenzoyl)amino]phenoxy]acetic acid (CID 61058711) is 2-[3-[(3-chlorobenzoyl)amino]phenoxy]acetic acid.
What is the SMILES notation for 2-[3-[(3-chlorobenzoyl)amino]phenoxy]acetic acid?
The canonical SMILES for 2-[3-[(3-chlorobenzoyl)amino]phenoxy]acetic acid is O=C(O)COc1cccc(NC(=O)c2cccc(Cl)c2)c1.
What is the InChIKey of 2-[3-[(3-chlorobenzoyl)amino]phenoxy]acetic acid?
The InChIKey is AHBRPNYPWYLUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO4/c16-11-4-1-3-10(7-11)15(20)17-12-5-2-6-13(8-12)21-9-14(18)19/h1-8H,9H2,(H,17,20)(H,18,19).
What are the key properties of 2-[3-[(3-chlorobenzoyl)amino]phenoxy]acetic acid?
2-[3-[(3-chlorobenzoyl)amino]phenoxy]acetic acid has a molecular weight of 305.72 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(3-chlorobenzoyl)amino]phenoxy]acetic acid is sourced from PubChem (CID 61058711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).