2-chloro-6-[cycloheptyl(methyl)amino]benzoic acid

C15H20ClNO2 — CID 43614200

IUPAC2-chloro-6-[cycloheptyl(methyl)amino]benzoic acid
SMILESCN(c1cccc(Cl)c1C(=O)O)C1CCCCCC1
InChIInChI=1S/C15H20ClNO2/c1-17(11-7-4-2-3-5-8-11)13-10-6-9-12(16)14(13)15(18)19/h6,9-11H,2-5,7-8H2,1H3,(H,18,19)
InChIKeyCVGVSEKHFDTVMY-UHFFFAOYSA-N
MW281.78 g/mol
LogP4.20
Rot. Bonds3

About 2-chloro-6-[cycloheptyl(methyl)amino]benzoic acid

2-chloro-6-[cycloheptyl(methyl)amino]benzoic acid (PubChem CID 43614200) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is 2-chloro-6-[cycloheptyl(methyl)amino]benzoic acid.

Molecular Properties

Compound Name2-chloro-6-[cycloheptyl(methyl)amino]benzoic acid
PubChem CID43614200
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Name2-chloro-6-[cycloheptyl(methyl)amino]benzoic acid
SMILESCN(c1cccc(Cl)c1C(=O)O)C1CCCCCC1
InChIInChI=1S/C15H20ClNO2/c1-17(11-7-4-2-3-5-8-11)13-10-6-9-12(16)14(13)15(18)19/h6,9-11H,2-5,7-8H2,1H3,(H,18,19)
InChIKeyCVGVSEKHFDTVMY-UHFFFAOYSA-N
XLogP4.20
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-6-[cyclopentyl(methyl)amino]benzoic acid
CID 43267297
2-chloro-6-[methyl-(3-methylcyclohexyl)amino]benzoic acid
CID 61446336
2,3-dichloro-N-cyclopentyl-N-methylaniline
CID 66960790
2-[(4-aminocyclohexyl)-methylamino]-6-chlorobenzamide
CID 79115109
3-chloro-1-N-cyclohexyl-1-N-methylbenzene-1,2-diamine
CID 104833893
2-amino-3-[cyclohexyl(methyl)amino]benzoic acid
CID 113332437
2,6-dichloro-N,N-dicyclohexylbenzamide
CID 3555098
3-[cycloheptyl(methyl)amino]-2-nitrobenzoic acid
CID 115542201
2-chloro-6-[methyl(pentan-3-yl)amino]benzoic acid
CID 43571282
2-fluoro-6-[methyl-(4-methylcyclohexyl)amino]benzoic acid
CID 79511856
1-[2-[cyclohexyl(methyl)amino]phenyl]ethanone
CID 43176964
4-chloro-2-[cyclopentyl(methyl)amino]benzoic acid
CID 63081490

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[cycloheptyl(methyl)amino]benzoic acid?
The IUPAC name of 2-chloro-6-[cycloheptyl(methyl)amino]benzoic acid (CID 43614200) is 2-chloro-6-[cycloheptyl(methyl)amino]benzoic acid.
What is the SMILES notation for 2-chloro-6-[cycloheptyl(methyl)amino]benzoic acid?
The canonical SMILES for 2-chloro-6-[cycloheptyl(methyl)amino]benzoic acid is CN(c1cccc(Cl)c1C(=O)O)C1CCCCCC1.
What is the InChIKey of 2-chloro-6-[cycloheptyl(methyl)amino]benzoic acid?
The InChIKey is CVGVSEKHFDTVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c1-17(11-7-4-2-3-5-8-11)13-10-6-9-12(16)14(13)15(18)19/h6,9-11H,2-5,7-8H2,1H3,(H,18,19).
What are the key properties of 2-chloro-6-[cycloheptyl(methyl)amino]benzoic acid?
2-chloro-6-[cycloheptyl(methyl)amino]benzoic acid has a molecular weight of 281.78 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[cycloheptyl(methyl)amino]benzoic acid is sourced from PubChem (CID 43614200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).