4-chloro-2-[cyclopropyl(methyl)amino]benzoic acid

C11H12ClNO2 — CID 63081321

IUPAC4-chloro-2-[cyclopropyl(methyl)amino]benzoic acid
SMILESCN(c1cc(Cl)ccc1C(=O)O)C1CC1
InChIInChI=1S/C11H12ClNO2/c1-13(8-3-4-8)10-6-7(12)2-5-9(10)11(14)15/h2,5-6,8H,3-4H2,1H3,(H,14,15)
InChIKeyDVNFRKQTHYIJLT-UHFFFAOYSA-N
MW225.68 g/mol
LogP2.64
Rot. Bonds3

About 4-chloro-2-[cyclopropyl(methyl)amino]benzoic acid

4-chloro-2-[cyclopropyl(methyl)amino]benzoic acid (PubChem CID 63081321) has the molecular formula C11H12ClNO2 and a molecular weight of 225.68 g/mol. Its IUPAC name is 4-chloro-2-[cyclopropyl(methyl)amino]benzoic acid.

Molecular Properties

Compound Name4-chloro-2-[cyclopropyl(methyl)amino]benzoic acid
PubChem CID63081321
Molecular FormulaC11H12ClNO2
Molecular Weight225.68 g/mol
Exact Mass225.06
IUPAC Name4-chloro-2-[cyclopropyl(methyl)amino]benzoic acid
SMILESCN(c1cc(Cl)ccc1C(=O)O)C1CC1
InChIInChI=1S/C11H12ClNO2/c1-13(8-3-4-8)10-6-7(12)2-5-9(10)11(14)15/h2,5-6,8H,3-4H2,1H3,(H,14,15)
InChIKeyDVNFRKQTHYIJLT-UHFFFAOYSA-N
XLogP2.64
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.68
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-[cyclopentyl(methyl)amino]benzoic acid
CID 63081490
4-chloro-2-[methyl-(1-methylpiperidin-4-yl)amino]benzoic acid
CID 55181948
2-[cyclopropyl(methyl)amino]-4-methylbenzoic acid
CID 62702673
4-chloro-2-[methyl(2-methylpropyl)amino]benzoic acid
CID 63081667
4-chloro-2-[(4-ethylcyclohexyl)-methylamino]benzenecarbothioamide
CID 63518376
4-chloro-2-[cyclobutylmethyl(ethyl)amino]benzoic acid
CID 107399503
4-chloro-2-[2-[cyclopropyl(methyl)amino]ethoxy]benzoic acid
CID 102741133
4-chloro-2-[cyclopropyl(thiophen-3-ylmethyl)amino]benzoic acid
CID 63513805
[5-chloro-2-[cyclopropyl(methyl)amino]phenyl]methanol
CID 114845206
4-chloro-2-(dipropylamino)benzoic acid
CID 63515020
2-bromo-4-[cyclopropyl(methyl)amino]-3-fluorobenzoic acid
CID 107540121
2-[bis(3-methylbutyl)amino]-4-chlorobenzoic acid
CID 107870293

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[cyclopropyl(methyl)amino]benzoic acid?
The IUPAC name of 4-chloro-2-[cyclopropyl(methyl)amino]benzoic acid (CID 63081321) is 4-chloro-2-[cyclopropyl(methyl)amino]benzoic acid.
What is the SMILES notation for 4-chloro-2-[cyclopropyl(methyl)amino]benzoic acid?
The canonical SMILES for 4-chloro-2-[cyclopropyl(methyl)amino]benzoic acid is CN(c1cc(Cl)ccc1C(=O)O)C1CC1.
What is the InChIKey of 4-chloro-2-[cyclopropyl(methyl)amino]benzoic acid?
The InChIKey is DVNFRKQTHYIJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO2/c1-13(8-3-4-8)10-6-7(12)2-5-9(10)11(14)15/h2,5-6,8H,3-4H2,1H3,(H,14,15).
What are the key properties of 4-chloro-2-[cyclopropyl(methyl)amino]benzoic acid?
4-chloro-2-[cyclopropyl(methyl)amino]benzoic acid has a molecular weight of 225.68 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[cyclopropyl(methyl)amino]benzoic acid is sourced from PubChem (CID 63081321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).