3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-4-methoxybenzoic acid

C17H16ClNO5 — CID 28676331

IUPAC3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)cc1NC(=O)COc1ccc(Cl)cc1C
InChIInChI=1S/C17H16ClNO5/c1-10-7-12(18)4-6-14(10)24-9-16(20)19-13-8-11(17(21)22)3-5-15(13)23-2/h3-8H,9H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyAZVVRWMDANKTCR-UHFFFAOYSA-N
MW349.77 g/mol
LogP3.37
Rot. Bonds6

About 3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-4-methoxybenzoic acid

3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-4-methoxybenzoic acid (PubChem CID 28676331) has the molecular formula C17H16ClNO5 and a molecular weight of 349.77 g/mol. Its IUPAC name is 3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-4-methoxybenzoic acid.

Molecular Properties

Compound Name3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-4-methoxybenzoic acid
PubChem CID28676331
Molecular FormulaC17H16ClNO5
Molecular Weight349.77 g/mol
Exact Mass349.07
IUPAC Name3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)cc1NC(=O)COc1ccc(Cl)cc1C
InChIInChI=1S/C17H16ClNO5/c1-10-7-12(18)4-6-14(10)24-9-16(20)19-13-8-11(17(21)22)3-5-15(13)23-2/h3-8H,9H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyAZVVRWMDANKTCR-UHFFFAOYSA-N
XLogP3.37
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.77
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-4-methoxybenzoic acid with MolForge

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Related Compounds

3-[[2-(2,4-dimethylphenoxy)acetyl]amino]-4-methoxybenzoic acid
CID 28675994
N-[4-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-2,5-dimethoxyphenyl]benzamide
CID 19180531
N-(4-bromo-2,5-dimethoxyphenyl)-2-(4-chloro-2-methylphenoxy)acetamide
CID 19172733
tert-butyl N-[5-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-2-methoxyphenyl]carbamate
CID 55655005
2-(4-bromo-2,5-dimethylphenoxy)-N-(5-chloro-2-methoxyphenyl)acetamide
CID 5183208
2-(4-chloro-2-methylphenoxy)-N-(2,4-dichlorophenyl)acetamide
CID 923084
N-(5-chloro-2-methoxyphenyl)-2-(2-methyl-4-nitrophenoxy)acetamide
CID 1406721
N-(2-amino-4-chlorophenyl)-2-(4-chloro-2-methylphenoxy)acetamide
CID 29045302
N-(4-chloro-2-methylphenyl)-2-(2-methoxy-4-methylphenoxy)acetamide
CID 2627654
N-(3-amino-4-methoxyphenyl)-2-(4-chloro-2-methylphenoxy)acetamide
CID 50878679
3-[[2-(2,4-dichlorophenoxy)acetyl]amino]-4-hydroxybenzoic acid
CID 108753972
N-(5-chloro-2-methoxyphenyl)-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 4619509

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-4-methoxybenzoic acid?
The IUPAC name of 3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-4-methoxybenzoic acid (CID 28676331) is 3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-4-methoxybenzoic acid.
What is the SMILES notation for 3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-4-methoxybenzoic acid?
The canonical SMILES for 3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-4-methoxybenzoic acid is COc1ccc(C(=O)O)cc1NC(=O)COc1ccc(Cl)cc1C.
What is the InChIKey of 3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-4-methoxybenzoic acid?
The InChIKey is AZVVRWMDANKTCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO5/c1-10-7-12(18)4-6-14(10)24-9-16(20)19-13-8-11(17(21)22)3-5-15(13)23-2/h3-8H,9H2,1-2H3,(H,19,20)(H,21,22).
What are the key properties of 3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-4-methoxybenzoic acid?
3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-4-methoxybenzoic acid has a molecular weight of 349.77 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-4-methoxybenzoic acid is sourced from PubChem (CID 28676331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).