2-[(2-chlorophenyl)methyl-[3-(2-methoxyphenyl)benzoyl]amino]acetic acid

C23H20ClNO4 — CID 110165690

IUPAC2-[(2-chlorophenyl)methyl-[3-(2-methoxyphenyl)benzoyl]amino]acetic acid
SMILESCOc1ccccc1-c1cccc(C(=O)N(CC(=O)O)Cc2ccccc2Cl)c1
InChIInChI=1S/C23H20ClNO4/c1-29-21-12-5-3-10-19(21)16-8-6-9-17(13-16)23(28)25(15-22(26)27)14-18-7-2-4-11-20(18)24/h2-13H,14-15H2,1H3,(H,26,27)
InChIKeyJYXGEIIEJKHGMR-UHFFFAOYSA-N
MW409.87 g/mol
LogP4.74
Rot. Bonds7

About 2-[(2-chlorophenyl)methyl-[3-(2-methoxyphenyl)benzoyl]amino]acetic acid

2-[(2-chlorophenyl)methyl-[3-(2-methoxyphenyl)benzoyl]amino]acetic acid (PubChem CID 110165690) has the molecular formula C23H20ClNO4 and a molecular weight of 409.87 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl-[3-(2-methoxyphenyl)benzoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl-[3-(2-methoxyphenyl)benzoyl]amino]acetic acid
PubChem CID110165690
Molecular FormulaC23H20ClNO4
Molecular Weight409.87 g/mol
Exact Mass409.11
IUPAC Name2-[(2-chlorophenyl)methyl-[3-(2-methoxyphenyl)benzoyl]amino]acetic acid
SMILESCOc1ccccc1-c1cccc(C(=O)N(CC(=O)O)Cc2ccccc2Cl)c1
InChIInChI=1S/C23H20ClNO4/c1-29-21-12-5-3-10-19(21)16-8-6-9-17(13-16)23(28)25(15-22(26)27)14-18-7-2-4-11-20(18)24/h2-13H,14-15H2,1H3,(H,26,27)
InChIKeyJYXGEIIEJKHGMR-UHFFFAOYSA-N
XLogP4.74
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.87
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3-(2-methoxyphenyl)benzoyl]-[(2-propan-2-yloxyphenyl)methyl]amino]acetic acid
CID 129454644
2-[[3-(2-methoxyphenyl)benzoyl]-[(4-propan-2-yloxyphenyl)methyl]amino]acetic acid
CID 129455176
3-(2-methoxyphenyl)benzoic acid
CID 2759547
1-[3-(2-methoxyphenyl)phenyl]-2-methylpropan-1-one
CID 82120149
2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 113162558
2-[[2-[(4-chloro-3-fluorophenyl)methyl]-7-methoxy-2-methyl-3H-1-benzofuran-5-carbonyl]-[(2-chlorophenyl)methyl]amino]acetic acid
CID 110165311
2-[acetyl-[(2-methoxyphenyl)methyl]amino]acetic acid
CID 82044282
2-[(2-chlorophenyl)methyl-[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]acetic acid
CID 110165696
3-(2-methoxyphenyl)-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 131912029
2-[cyclopropyl-[3-(2-ethoxyphenyl)benzoyl]amino]acetic acid
CID 120517664
N-[(2-chlorophenyl)methyl]-N-ethyl-3-(2-methoxyethoxy)benzamide
CID 60566746
N-[2-[acetyl-[(2-chlorophenyl)methyl]amino]ethyl]-2,6-dimethoxybenzamide
CID 113054757

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl-[3-(2-methoxyphenyl)benzoyl]amino]acetic acid?
The IUPAC name of 2-[(2-chlorophenyl)methyl-[3-(2-methoxyphenyl)benzoyl]amino]acetic acid (CID 110165690) is 2-[(2-chlorophenyl)methyl-[3-(2-methoxyphenyl)benzoyl]amino]acetic acid.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl-[3-(2-methoxyphenyl)benzoyl]amino]acetic acid?
The canonical SMILES for 2-[(2-chlorophenyl)methyl-[3-(2-methoxyphenyl)benzoyl]amino]acetic acid is COc1ccccc1-c1cccc(C(=O)N(CC(=O)O)Cc2ccccc2Cl)c1.
What is the InChIKey of 2-[(2-chlorophenyl)methyl-[3-(2-methoxyphenyl)benzoyl]amino]acetic acid?
The InChIKey is JYXGEIIEJKHGMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClNO4/c1-29-21-12-5-3-10-19(21)16-8-6-9-17(13-16)23(28)25(15-22(26)27)14-18-7-2-4-11-20(18)24/h2-13H,14-15H2,1H3,(H,26,27).
What are the key properties of 2-[(2-chlorophenyl)methyl-[3-(2-methoxyphenyl)benzoyl]amino]acetic acid?
2-[(2-chlorophenyl)methyl-[3-(2-methoxyphenyl)benzoyl]amino]acetic acid has a molecular weight of 409.87 g/mol, XLogP of 4.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl-[3-(2-methoxyphenyl)benzoyl]amino]acetic acid is sourced from PubChem (CID 110165690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).