3-(3,5-dichloroanilino)-4-methoxybenzoic acid

C14H11Cl2NO3 — CID 18626152

IUPAC3-(3,5-dichloroanilino)-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)cc1Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H11Cl2NO3/c1-20-13-3-2-8(14(18)19)4-12(13)17-11-6-9(15)5-10(16)7-11/h2-7,17H,1H3,(H,18,19)
InChIKeyXMEGHQAROYOGDB-UHFFFAOYSA-N
MW312.15 g/mol
LogP4.44
Rot. Bonds4

About 3-(3,5-dichloroanilino)-4-methoxybenzoic acid

3-(3,5-dichloroanilino)-4-methoxybenzoic acid (PubChem CID 18626152) has the molecular formula C14H11Cl2NO3 and a molecular weight of 312.15 g/mol. Its IUPAC name is 3-(3,5-dichloroanilino)-4-methoxybenzoic acid.

Molecular Properties

Compound Name3-(3,5-dichloroanilino)-4-methoxybenzoic acid
PubChem CID18626152
Molecular FormulaC14H11Cl2NO3
Molecular Weight312.15 g/mol
Exact Mass311.01
IUPAC Name3-(3,5-dichloroanilino)-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)cc1Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H11Cl2NO3/c1-20-13-3-2-8(14(18)19)4-12(13)17-11-6-9(15)5-10(16)7-11/h2-7,17H,1H3,(H,18,19)
InChIKeyXMEGHQAROYOGDB-UHFFFAOYSA-N
XLogP4.44
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.15
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-chloro-4-methoxybenzoyl)amino]-4-methoxybenzoic acid
CID 28673376
3-[[6-(5-chloro-2-methoxyanilino)pyrimidin-4-yl]amino]benzoic acid
CID 113193141
3-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-4-methoxybenzoic acid
CID 28677113
4-methoxy-3-(2-methylpropanoylamino)benzoic acid
CID 63742748
3-[[(Z)-3-(4-chlorophenyl)prop-2-enyl]amino]-4-methoxybenzoic acid
CID 98339863
3-(butan-2-ylamino)-4-methoxybenzoic acid
CID 63742955
4-methoxy-3-(prop-2-enoylamino)benzoic acid
CID 63742238
3-[(5-chlorothiophene-2-carbonyl)amino]-4-methoxybenzoic acid
CID 63742413
3-[2,5-bis(trifluoromethyl)anilino]-4-methoxybenzoic acid
CID 155291425
4-(5-amino-4-hydroxy-2-methoxyanilino)benzoic acid
CID 144626947
3,4-dimethoxybenzoic acid;methanol
CID 144580050
3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-4-methoxybenzoic acid
CID 28676331

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dichloroanilino)-4-methoxybenzoic acid?
The IUPAC name of 3-(3,5-dichloroanilino)-4-methoxybenzoic acid (CID 18626152) is 3-(3,5-dichloroanilino)-4-methoxybenzoic acid.
What is the SMILES notation for 3-(3,5-dichloroanilino)-4-methoxybenzoic acid?
The canonical SMILES for 3-(3,5-dichloroanilino)-4-methoxybenzoic acid is COc1ccc(C(=O)O)cc1Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3-(3,5-dichloroanilino)-4-methoxybenzoic acid?
The InChIKey is XMEGHQAROYOGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2NO3/c1-20-13-3-2-8(14(18)19)4-12(13)17-11-6-9(15)5-10(16)7-11/h2-7,17H,1H3,(H,18,19).
What are the key properties of 3-(3,5-dichloroanilino)-4-methoxybenzoic acid?
3-(3,5-dichloroanilino)-4-methoxybenzoic acid has a molecular weight of 312.15 g/mol, XLogP of 4.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dichloroanilino)-4-methoxybenzoic acid is sourced from PubChem (CID 18626152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).