2-(N-butylanilino)benzoic acid

C17H19NO2 — CID 64586364

IUPAC2-(N-butylanilino)benzoic acid
SMILESCCCCN(c1ccccc1)c1ccccc1C(=O)O
InChIInChI=1S/C17H19NO2/c1-2-3-13-18(14-9-5-4-6-10-14)16-12-8-7-11-15(16)17(19)20/h4-12H,2-3,13H2,1H3,(H,19,20)
InChIKeyZMBALNGSKXRSMV-UHFFFAOYSA-N
MW269.34 g/mol
LogP4.32
Rot. Bonds6

About 2-(N-butylanilino)benzoic acid

2-(N-butylanilino)benzoic acid (PubChem CID 64586364) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-(N-butylanilino)benzoic acid.

Molecular Properties

Compound Name2-(N-butylanilino)benzoic acid
PubChem CID64586364
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name2-(N-butylanilino)benzoic acid
SMILESCCCCN(c1ccccc1)c1ccccc1C(=O)O
InChIInChI=1S/C17H19NO2/c1-2-3-13-18(14-9-5-4-6-10-14)16-12-8-7-11-15(16)17(19)20/h4-12H,2-3,13H2,1H3,(H,19,20)
InChIKeyZMBALNGSKXRSMV-UHFFFAOYSA-N
XLogP4.32
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(N-butylanilino)-5-methylbenzoic acid
CID 64586948
4-amino-2-(N-butylanilino)benzoic acid
CID 64584256
2-[butyl-[2-(N-butyl-2-carboxyanilino)ethyl]amino]benzoic acid
CID 13212636
2-[butyl(carboxy)amino]benzoic acid
CID 69470205
1-[2-(N-butylanilino)-5-fluorophenyl]ethanone
CID 64584619
N-butyl-N-phenylaniline;hydrobromide
CID 70419495
2-[methyl(octyl)amino]benzoic acid
CID 21437831
2-(N-butylanilino)benzaldehyde
CID 64585010
1-[2-(N-butylanilino)-6-fluorophenyl]ethanone
CID 64584809
2-[2-(dibutylamino)benzoyl]benzoic acid
CID 23182045
(1S)-1-[2-(N-butylanilino)phenyl]propan-1-ol
CID 103960207
2-[[butyl(ethyl)carbamoyl]-methylamino]benzoic acid
CID 61185339

Frequently Asked Questions

What is the IUPAC name of 2-(N-butylanilino)benzoic acid?
The IUPAC name of 2-(N-butylanilino)benzoic acid (CID 64586364) is 2-(N-butylanilino)benzoic acid.
What is the SMILES notation for 2-(N-butylanilino)benzoic acid?
The canonical SMILES for 2-(N-butylanilino)benzoic acid is CCCCN(c1ccccc1)c1ccccc1C(=O)O.
What is the InChIKey of 2-(N-butylanilino)benzoic acid?
The InChIKey is ZMBALNGSKXRSMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-2-3-13-18(14-9-5-4-6-10-14)16-12-8-7-11-15(16)17(19)20/h4-12H,2-3,13H2,1H3,(H,19,20).
What are the key properties of 2-(N-butylanilino)benzoic acid?
2-(N-butylanilino)benzoic acid has a molecular weight of 269.34 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-butylanilino)benzoic acid is sourced from PubChem (CID 64586364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).