2-[[4-(4-chlorophenoxy)benzoyl]amino]acetic acid

C15H12ClNO4 — CID 66812377

IUPAC2-[[4-(4-chlorophenoxy)benzoyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H12ClNO4/c16-11-3-7-13(8-4-11)21-12-5-1-10(2-6-12)15(20)17-9-14(18)19/h1-8H,9H2,(H,17,20)(H,18,19)
InChIKeyGOSYIUOPZCNQSZ-UHFFFAOYSA-N
MW305.72 g/mol
LogP2.95
Rot. Bonds5

About 2-[[4-(4-chlorophenoxy)benzoyl]amino]acetic acid

2-[[4-(4-chlorophenoxy)benzoyl]amino]acetic acid (PubChem CID 66812377) has the molecular formula C15H12ClNO4 and a molecular weight of 305.72 g/mol. Its IUPAC name is 2-[[4-(4-chlorophenoxy)benzoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[4-(4-chlorophenoxy)benzoyl]amino]acetic acid
PubChem CID66812377
Molecular FormulaC15H12ClNO4
Molecular Weight305.72 g/mol
Exact Mass305.05
IUPAC Name2-[[4-(4-chlorophenoxy)benzoyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H12ClNO4/c16-11-3-7-13(8-4-11)21-12-5-1-10(2-6-12)15(20)17-9-14(18)19/h1-8H,9H2,(H,17,20)(H,18,19)
InChIKeyGOSYIUOPZCNQSZ-UHFFFAOYSA-N
XLogP2.95
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 ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4-[[2-(4-chlorophenoxy)acetyl]amino]benzoyl]amino]acetic acid
CID 45434797
2-[[5-(4-chlorophenoxy)-3-hydroxypyridine-2-carbonyl]amino]acetic acid
CID 134478916
2-[(4-chlorobenzoyl)amino]acetyl chloride
CID 14545092
2-[[(4-chlorobenzoyl)amino]carbamoylamino]acetic acid
CID 172764619
4-(carboxymethylcarbamoyl)benzoic acid
CID 166957862
2-[(3-chloro-4-fluorobenzoyl)amino]acetic acid
CID 80502677
2-[[4-(5-chloro-2-pyridinyl)benzoyl]amino]acetic acid
CID 169198581
2-[(4-chlorobenzoyl)amino]acetic acid;(2S)-2,5-diaminopentanoic acid
CID 22807398
aluminum tris(2-[(4-chlorobenzoyl)amino]acetate)
CID 70603247
2-[[7-(4-chlorophenoxy)-4-hydroxy-1-methylisoquinoline-3-carbonyl]amino]acetic acid
CID 11165097
4-chloro-N-(2-hydrazinyl-2-oxoethyl)benzamide
CID 792434
2-benzamidoacetic acid;hydrofluoride
CID 174760685

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-chlorophenoxy)benzoyl]amino]acetic acid?
The IUPAC name of 2-[[4-(4-chlorophenoxy)benzoyl]amino]acetic acid (CID 66812377) is 2-[[4-(4-chlorophenoxy)benzoyl]amino]acetic acid.
What is the SMILES notation for 2-[[4-(4-chlorophenoxy)benzoyl]amino]acetic acid?
The canonical SMILES for 2-[[4-(4-chlorophenoxy)benzoyl]amino]acetic acid is O=C(O)CNC(=O)c1ccc(Oc2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-[[4-(4-chlorophenoxy)benzoyl]amino]acetic acid?
The InChIKey is GOSYIUOPZCNQSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO4/c16-11-3-7-13(8-4-11)21-12-5-1-10(2-6-12)15(20)17-9-14(18)19/h1-8H,9H2,(H,17,20)(H,18,19).
What are the key properties of 2-[[4-(4-chlorophenoxy)benzoyl]amino]acetic acid?
2-[[4-(4-chlorophenoxy)benzoyl]amino]acetic acid has a molecular weight of 305.72 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-chlorophenoxy)benzoyl]amino]acetic acid is sourced from PubChem (CID 66812377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).