5-amino-3-chloro-2-(1-cyclohexylethylamino)benzoic acid

C15H21ClN2O2 — CID 107195657

IUPAC5-amino-3-chloro-2-(1-cyclohexylethylamino)benzoic acid
SMILESCC(Nc1c(Cl)cc(N)cc1C(=O)O)C1CCCCC1
InChIInChI=1S/C15H21ClN2O2/c1-9(10-5-3-2-4-6-10)18-14-12(15(19)20)7-11(17)8-13(14)16/h7-10,18H,2-6,17H2,1H3,(H,19,20)
InChIKeyREAIZNQDLPPLID-UHFFFAOYSA-N
MW296.80 g/mol
LogP4.00
Rot. Bonds4

About 5-amino-3-chloro-2-(1-cyclohexylethylamino)benzoic acid

5-amino-3-chloro-2-(1-cyclohexylethylamino)benzoic acid (PubChem CID 107195657) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 5-amino-3-chloro-2-(1-cyclohexylethylamino)benzoic acid.

Molecular Properties

Compound Name5-amino-3-chloro-2-(1-cyclohexylethylamino)benzoic acid
PubChem CID107195657
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name5-amino-3-chloro-2-(1-cyclohexylethylamino)benzoic acid
SMILESCC(Nc1c(Cl)cc(N)cc1C(=O)O)C1CCCCC1
InChIInChI=1S/C15H21ClN2O2/c1-9(10-5-3-2-4-6-10)18-14-12(15(19)20)7-11(17)8-13(14)16/h7-10,18H,2-6,17H2,1H3,(H,19,20)
InChIKeyREAIZNQDLPPLID-UHFFFAOYSA-N
XLogP4.00
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 54.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-(1-cyclohexylethylamino)benzoic acid
CID 62407430
5-amino-3-chloro-2-(3-methylpentan-2-ylamino)benzoic acid
CID 107194827
5-amino-3-chloro-2-(4-methylsulfanylbutan-2-ylamino)benzoic acid
CID 107196717
5-amino-3-chloro-2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]benzoic acid
CID 107194989
5-amino-3-chloro-2-[4-(dimethylamino)butan-2-ylamino]benzoic acid
CID 107195173
5-amino-3-chloro-2-(cycloheptylamino)benzamide
CID 107193767
2-amino-4-bromo-5-(1-cyclopentylethylamino)benzoic acid
CID 114278326
5-amino-3-chloro-2-(oxan-3-ylamino)benzoic acid
CID 107195861
2-chloro-6-(1-cyclohexylethylamino)pyridine-4-carboxylic acid
CID 63538856
5-amino-3-chloro-2-(2-cyclopropylethylamino)benzoic acid
CID 107196157
5-amino-3-chloro-2-(2-methylbutylamino)benzoic acid
CID 107195686
2,4,5-trichloro-N-(1-cyclohexylethyl)aniline
CID 63419239

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-chloro-2-(1-cyclohexylethylamino)benzoic acid?
The IUPAC name of 5-amino-3-chloro-2-(1-cyclohexylethylamino)benzoic acid (CID 107195657) is 5-amino-3-chloro-2-(1-cyclohexylethylamino)benzoic acid.
What is the SMILES notation for 5-amino-3-chloro-2-(1-cyclohexylethylamino)benzoic acid?
The canonical SMILES for 5-amino-3-chloro-2-(1-cyclohexylethylamino)benzoic acid is CC(Nc1c(Cl)cc(N)cc1C(=O)O)C1CCCCC1.
What is the InChIKey of 5-amino-3-chloro-2-(1-cyclohexylethylamino)benzoic acid?
The InChIKey is REAIZNQDLPPLID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-9(10-5-3-2-4-6-10)18-14-12(15(19)20)7-11(17)8-13(14)16/h7-10,18H,2-6,17H2,1H3,(H,19,20).
What are the key properties of 5-amino-3-chloro-2-(1-cyclohexylethylamino)benzoic acid?
5-amino-3-chloro-2-(1-cyclohexylethylamino)benzoic acid has a molecular weight of 296.80 g/mol, XLogP of 4.00, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-chloro-2-(1-cyclohexylethylamino)benzoic acid is sourced from PubChem (CID 107195657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).