2-[4-[(N-benzoyl-4-chloroanilino)methyl]phenoxy]acetic acid

C22H18ClNO4 — CID 127028520

IUPAC2-[4-[(N-benzoyl-4-chloroanilino)methyl]phenoxy]acetic acid
SMILESO=C(O)COc1ccc(CN(C(=O)c2ccccc2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H18ClNO4/c23-18-8-10-19(11-9-18)24(22(27)17-4-2-1-3-5-17)14-16-6-12-20(13-7-16)28-15-21(25)26/h1-13H,14-15H2,(H,25,26)
InChIKeyNBGHQMZSRMSNCG-UHFFFAOYSA-N
MW395.84 g/mol
LogP4.65
Rot. Bonds7

About 2-[4-[(N-benzoyl-4-chloroanilino)methyl]phenoxy]acetic acid

2-[4-[(N-benzoyl-4-chloroanilino)methyl]phenoxy]acetic acid (PubChem CID 127028520) has the molecular formula C22H18ClNO4 and a molecular weight of 395.84 g/mol. Its IUPAC name is 2-[4-[(N-benzoyl-4-chloroanilino)methyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[(N-benzoyl-4-chloroanilino)methyl]phenoxy]acetic acid
PubChem CID127028520
Molecular FormulaC22H18ClNO4
Molecular Weight395.84 g/mol
Exact Mass395.09
IUPAC Name2-[4-[(N-benzoyl-4-chloroanilino)methyl]phenoxy]acetic acid
SMILESO=C(O)COc1ccc(CN(C(=O)c2ccccc2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H18ClNO4/c23-18-8-10-19(11-9-18)24(22(27)17-4-2-1-3-5-17)14-16-6-12-20(13-7-16)28-15-21(25)26/h1-13H,14-15H2,(H,25,26)
InChIKeyNBGHQMZSRMSNCG-UHFFFAOYSA-N
XLogP4.65
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.84
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-[(N-benzoyl-4-chloroanilino)methyl]phenoxy]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-4-chloro-N-phenylbenzamide
CID 20787883
bis(2-(4-chlorophenoxy)acetic acid);zinc
CID 11201418
N-benzyl-N-[4-[2-(benzylamino)-2-oxoethyl]phenyl]-4-chlorobenzamide
CID 46045826
N-[(4-chlorophenyl)methyl]-N-pyridin-2-ylbenzamide
CID 13304853
2-[4-[2-(4-chlorophenyl)acetyl]phenoxy]acetic acid
CID 167266699
N-benzyl-4-chloro-N-[4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]benzamide
CID 92987150
1-N,3-N-dibenzyl-1-N,3-N-bis(4-methoxyphenyl)benzene-1,3-dicarboxamide
CID 10144171
N-(3-aminopropyl)-N-benzyl-2-(4-chlorophenoxy)acetamide
CID 120649279
N-benzyl-N-(4-chlorophenyl)carbamate
CID 57352330
2-[4-[[methyl(naphthalene-2-carbonyl)amino]methyl]phenoxy]acetic acid
CID 138043891
N-benzyl-4-fluoro-N-(4-methoxyphenyl)benzamide
CID 3724237
(Z)-4-(4-chlorophenoxy)-2-hydroxy-3-phenylbut-2-enoic acid
CID 118672362

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(N-benzoyl-4-chloroanilino)methyl]phenoxy]acetic acid?
The IUPAC name of 2-[4-[(N-benzoyl-4-chloroanilino)methyl]phenoxy]acetic acid (CID 127028520) is 2-[4-[(N-benzoyl-4-chloroanilino)methyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[(N-benzoyl-4-chloroanilino)methyl]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[(N-benzoyl-4-chloroanilino)methyl]phenoxy]acetic acid is O=C(O)COc1ccc(CN(C(=O)c2ccccc2)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-[4-[(N-benzoyl-4-chloroanilino)methyl]phenoxy]acetic acid?
The InChIKey is NBGHQMZSRMSNCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClNO4/c23-18-8-10-19(11-9-18)24(22(27)17-4-2-1-3-5-17)14-16-6-12-20(13-7-16)28-15-21(25)26/h1-13H,14-15H2,(H,25,26).
What are the key properties of 2-[4-[(N-benzoyl-4-chloroanilino)methyl]phenoxy]acetic acid?
2-[4-[(N-benzoyl-4-chloroanilino)methyl]phenoxy]acetic acid has a molecular weight of 395.84 g/mol, XLogP of 4.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(N-benzoyl-4-chloroanilino)methyl]phenoxy]acetic acid is sourced from PubChem (CID 127028520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).