2-(3-chloro-4-methoxyphenyl)-2-(3-methylanilino)acetic acid

C16H16ClNO3 — CID 65026414

IUPAC2-(3-chloro-4-methoxyphenyl)-2-(3-methylanilino)acetic acid
SMILESCOc1ccc(C(Nc2cccc(C)c2)C(=O)O)cc1Cl
InChIInChI=1S/C16H16ClNO3/c1-10-4-3-5-12(8-10)18-15(16(19)20)11-6-7-14(21-2)13(17)9-11/h3-9,15,18H,1-2H3,(H,19,20)
InChIKeyPOROTILOSSJBBE-UHFFFAOYSA-N
MW305.76 g/mol
LogP3.89
Rot. Bonds5

About 2-(3-chloro-4-methoxyphenyl)-2-(3-methylanilino)acetic acid

2-(3-chloro-4-methoxyphenyl)-2-(3-methylanilino)acetic acid (PubChem CID 65026414) has the molecular formula C16H16ClNO3 and a molecular weight of 305.76 g/mol. Its IUPAC name is 2-(3-chloro-4-methoxyphenyl)-2-(3-methylanilino)acetic acid.

Molecular Properties

Compound Name2-(3-chloro-4-methoxyphenyl)-2-(3-methylanilino)acetic acid
PubChem CID65026414
Molecular FormulaC16H16ClNO3
Molecular Weight305.76 g/mol
Exact Mass305.08
IUPAC Name2-(3-chloro-4-methoxyphenyl)-2-(3-methylanilino)acetic acid
SMILESCOc1ccc(C(Nc2cccc(C)c2)C(=O)O)cc1Cl
InChIInChI=1S/C16H16ClNO3/c1-10-4-3-5-12(8-10)18-15(16(19)20)11-6-7-14(21-2)13(17)9-11/h3-9,15,18H,1-2H3,(H,19,20)
InChIKeyPOROTILOSSJBBE-UHFFFAOYSA-N
XLogP3.89
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-4-methoxyphenyl)-2-(3-fluoroanilino)acetic acid
CID 65026525
2-(2-chloro-6-methoxyphenyl)-2-(3-methylanilino)acetic acid
CID 104816539
2-(3-chloro-4-methoxyphenyl)-2-(2-methylanilino)acetic acid
CID 65026303
2-anilino-2-(3-chloro-4-methoxyphenyl)acetamide
CID 65026961
2-(2-methoxyphenyl)-2-(3-methylanilino)acetic acid
CID 60993074
2-(3-chloroanilino)-2-(3-chloro-4-methoxyphenyl)acetamide
CID 65027018
2-(4-bromophenyl)-2-(3-methylanilino)acetic acid
CID 54890845
2-(3-fluoroanilino)-2-(4-methoxy-3-methylphenyl)acetic acid
CID 62131901
2-(3-chloroanilino)-2-(4-methoxyphenyl)acetic acid
CID 60990738
4-[bromo-(3-methylphenyl)methyl]-2-chloro-1-methoxybenzene
CID 63439421
3-chloro-4-methoxy-N-[1-(3-methylphenyl)ethyl]aniline
CID 43758115
2-(3-bromoanilino)-2-(3,4-dimethylphenyl)acetic acid
CID 60993854

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methoxyphenyl)-2-(3-methylanilino)acetic acid?
The IUPAC name of 2-(3-chloro-4-methoxyphenyl)-2-(3-methylanilino)acetic acid (CID 65026414) is 2-(3-chloro-4-methoxyphenyl)-2-(3-methylanilino)acetic acid.
What is the SMILES notation for 2-(3-chloro-4-methoxyphenyl)-2-(3-methylanilino)acetic acid?
The canonical SMILES for 2-(3-chloro-4-methoxyphenyl)-2-(3-methylanilino)acetic acid is COc1ccc(C(Nc2cccc(C)c2)C(=O)O)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-methoxyphenyl)-2-(3-methylanilino)acetic acid?
The InChIKey is POROTILOSSJBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO3/c1-10-4-3-5-12(8-10)18-15(16(19)20)11-6-7-14(21-2)13(17)9-11/h3-9,15,18H,1-2H3,(H,19,20).
What are the key properties of 2-(3-chloro-4-methoxyphenyl)-2-(3-methylanilino)acetic acid?
2-(3-chloro-4-methoxyphenyl)-2-(3-methylanilino)acetic acid has a molecular weight of 305.76 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methoxyphenyl)-2-(3-methylanilino)acetic acid is sourced from PubChem (CID 65026414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).