5-chloro-2-(N-ethylanilino)benzoic acid

C15H14ClNO2 — CID 63512751

IUPAC5-chloro-2-(N-ethylanilino)benzoic acid
SMILESCCN(c1ccccc1)c1ccc(Cl)cc1C(=O)O
InChIInChI=1S/C15H14ClNO2/c1-2-17(12-6-4-3-5-7-12)14-9-8-11(16)10-13(14)15(18)19/h3-10H,2H2,1H3,(H,18,19)
InChIKeyJKIRWTRKXFLKQB-UHFFFAOYSA-N
MW275.74 g/mol
LogP4.20
Rot. Bonds4

About 5-chloro-2-(N-ethylanilino)benzoic acid

5-chloro-2-(N-ethylanilino)benzoic acid (PubChem CID 63512751) has the molecular formula C15H14ClNO2 and a molecular weight of 275.74 g/mol. Its IUPAC name is 5-chloro-2-(N-ethylanilino)benzoic acid.

Molecular Properties

Compound Name5-chloro-2-(N-ethylanilino)benzoic acid
PubChem CID63512751
Molecular FormulaC15H14ClNO2
Molecular Weight275.74 g/mol
Exact Mass275.07
IUPAC Name5-chloro-2-(N-ethylanilino)benzoic acid
SMILESCCN(c1ccccc1)c1ccc(Cl)cc1C(=O)O
InChIInChI=1S/C15H14ClNO2/c1-2-17(12-6-4-3-5-7-12)14-9-8-11(16)10-13(14)15(18)19/h3-10H,2H2,1H3,(H,18,19)
InChIKeyJKIRWTRKXFLKQB-UHFFFAOYSA-N
XLogP4.20
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-2-(N-ethylanilino)benzoic acid
CID 54888269
2-(2-aminoethyl)-4-chloro-N-ethyl-N-phenylaniline
CID 114860392
5-chloro-2-(N-ethylanilino)benzonitrile
CID 63509917
3-amino-4-(N-ethylanilino)benzoic acid
CID 54888270
2-(N-butylanilino)-5-methylbenzoic acid
CID 64586948
5-chloro-2-[(4-chlorophenyl)methyl-methylamino]benzoic acid
CID 63513125
5-chloro-2-(N-propanoyl-3-pyridin-2-ylsulfanylanilino)benzoic acid
CID 69188871
5-chloro-2-(N-ethyl-3-methylanilino)benzenecarboximidamide
CID 62493758
2-(2-aminobutyl)-5-chloro-N-ethyl-N-phenylaniline
CID 114860397
1,4-dichlorobenzene;phthalic acid
CID 146444395
4-(N-ethyl-2-fluoroanilino)-2-methylbenzoic acid
CID 62135800
2-[1-carboxyethyl(methyl)amino]-5-chlorobenzoic acid
CID 19750856

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(N-ethylanilino)benzoic acid?
The IUPAC name of 5-chloro-2-(N-ethylanilino)benzoic acid (CID 63512751) is 5-chloro-2-(N-ethylanilino)benzoic acid.
What is the SMILES notation for 5-chloro-2-(N-ethylanilino)benzoic acid?
The canonical SMILES for 5-chloro-2-(N-ethylanilino)benzoic acid is CCN(c1ccccc1)c1ccc(Cl)cc1C(=O)O.
What is the InChIKey of 5-chloro-2-(N-ethylanilino)benzoic acid?
The InChIKey is JKIRWTRKXFLKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO2/c1-2-17(12-6-4-3-5-7-12)14-9-8-11(16)10-13(14)15(18)19/h3-10H,2H2,1H3,(H,18,19).
What are the key properties of 5-chloro-2-(N-ethylanilino)benzoic acid?
5-chloro-2-(N-ethylanilino)benzoic acid has a molecular weight of 275.74 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(N-ethylanilino)benzoic acid is sourced from PubChem (CID 63512751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).