2-(3-propoxyanilino)benzoic acid

C16H17NO3 — CID 154130973

IUPAC2-(3-propoxyanilino)benzoic acid
SMILESCCCOc1cccc(Nc2ccccc2C(=O)O)c1
InChIInChI=1S/C16H17NO3/c1-2-10-20-13-7-5-6-12(11-13)17-15-9-4-3-8-14(15)16(18)19/h3-9,11,17H,2,10H2,1H3,(H,18,19)
InChIKeyVNWIKUXZNUBJRL-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.92
Rot. Bonds6

About 2-(3-propoxyanilino)benzoic acid

2-(3-propoxyanilino)benzoic acid (PubChem CID 154130973) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-(3-propoxyanilino)benzoic acid.

Molecular Properties

Compound Name2-(3-propoxyanilino)benzoic acid
PubChem CID154130973
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name2-(3-propoxyanilino)benzoic acid
SMILESCCCOc1cccc(Nc2ccccc2C(=O)O)c1
InChIInChI=1S/C16H17NO3/c1-2-10-20-13-7-5-6-12(11-13)17-15-9-4-3-8-14(15)16(18)19/h3-9,11,17H,2,10H2,1H3,(H,18,19)
InChIKeyVNWIKUXZNUBJRL-UHFFFAOYSA-N
XLogP3.92
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-phenyl-3-propoxyaniline
CID 71334741
2-anilino-N-(3-hexoxyphenyl)benzamide
CID 54784866
2-[3-(2-carboxyanilino)anilino]benzoic acid
CID 21179580
2-(3-butylanilino)benzoic acid
CID 86186147
5-chloro-2-(3-ethoxyanilino)benzoic acid
CID 63538185
2-(4-ethoxyanilino)benzoic acid
CID 15247418
2-[(3-undecoxyphenyl)carbamoyl]benzoic acid
CID 51001454
2-(3-propoxybenzoyl)oxybenzoic acid
CID 54854800
2-phenoxy-3-propoxybenzoic acid
CID 67826110
2-(2-methylpropoxy)-N-(3-propoxyphenyl)benzamide
CID 17096753
2-anilinobenzoic acid;N-phenylaniline
CID 68732454
N-[3-(2-phenoxyethoxy)phenyl]-4-propoxybenzamide
CID 17123567

Frequently Asked Questions

What is the IUPAC name of 2-(3-propoxyanilino)benzoic acid?
The IUPAC name of 2-(3-propoxyanilino)benzoic acid (CID 154130973) is 2-(3-propoxyanilino)benzoic acid.
What is the SMILES notation for 2-(3-propoxyanilino)benzoic acid?
The canonical SMILES for 2-(3-propoxyanilino)benzoic acid is CCCOc1cccc(Nc2ccccc2C(=O)O)c1.
What is the InChIKey of 2-(3-propoxyanilino)benzoic acid?
The InChIKey is VNWIKUXZNUBJRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-2-10-20-13-7-5-6-12(11-13)17-15-9-4-3-8-14(15)16(18)19/h3-9,11,17H,2,10H2,1H3,(H,18,19).
What are the key properties of 2-(3-propoxyanilino)benzoic acid?
2-(3-propoxyanilino)benzoic acid has a molecular weight of 271.32 g/mol, XLogP of 3.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-propoxyanilino)benzoic acid is sourced from PubChem (CID 154130973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).