4-chloro-2-[methyl(2-pyrrolidin-1-ylethyl)amino]benzoic acid

C14H19ClN2O2 — CID 63209038

IUPAC4-chloro-2-[methyl(2-pyrrolidin-1-ylethyl)amino]benzoic acid
SMILESCN(CCN1CCCC1)c1cc(Cl)ccc1C(=O)O
InChIInChI=1S/C14H19ClN2O2/c1-16(8-9-17-6-2-3-7-17)13-10-11(15)4-5-12(13)14(18)19/h4-5,10H,2-3,6-9H2,1H3,(H,18,19)
InChIKeySNJDRJFFEGPCSV-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.57
Rot. Bonds5

About 4-chloro-2-[methyl(2-pyrrolidin-1-ylethyl)amino]benzoic acid

4-chloro-2-[methyl(2-pyrrolidin-1-ylethyl)amino]benzoic acid (PubChem CID 63209038) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 4-chloro-2-[methyl(2-pyrrolidin-1-ylethyl)amino]benzoic acid.

Molecular Properties

Compound Name4-chloro-2-[methyl(2-pyrrolidin-1-ylethyl)amino]benzoic acid
PubChem CID63209038
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name4-chloro-2-[methyl(2-pyrrolidin-1-ylethyl)amino]benzoic acid
SMILESCN(CCN1CCCC1)c1cc(Cl)ccc1C(=O)O
InChIInChI=1S/C14H19ClN2O2/c1-16(8-9-17-6-2-3-7-17)13-10-11(15)4-5-12(13)14(18)19/h4-5,10H,2-3,6-9H2,1H3,(H,18,19)
InChIKeySNJDRJFFEGPCSV-UHFFFAOYSA-N
XLogP2.57
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-[methyl(pentyl)amino]benzoic acid
CID 63513449
5-fluoro-2-[methyl(2-pyrrolidin-1-ylethyl)amino]benzoic acid
CID 63207861
2,4-dichloro-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 110753573
4-chloro-2-[methyl(2-methylpropyl)amino]benzoic acid
CID 63081667
4-chloro-2-[(3-chlorophenyl)methyl-methylamino]benzoic acid
CID 63513628
4-chloro-2-[methyl(2-pyridin-4-ylethyl)amino]benzoic acid
CID 63083019
4-chloro-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]benzoic acid
CID 63083188
4-chloro-2-[methyl-(1-methylpiperidin-4-yl)amino]benzoic acid
CID 55181948
4-chloro-2-(dipropylamino)benzoic acid
CID 63515020
4-chloro-2-[cyclopentyl(methyl)amino]benzoic acid
CID 63081490
1-(4-chlorophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)cyclopentane-1-carboxamide
CID 56509989
4-chloro-2-[cyclopropyl(methyl)amino]benzoic acid
CID 63081321

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[methyl(2-pyrrolidin-1-ylethyl)amino]benzoic acid?
The IUPAC name of 4-chloro-2-[methyl(2-pyrrolidin-1-ylethyl)amino]benzoic acid (CID 63209038) is 4-chloro-2-[methyl(2-pyrrolidin-1-ylethyl)amino]benzoic acid.
What is the SMILES notation for 4-chloro-2-[methyl(2-pyrrolidin-1-ylethyl)amino]benzoic acid?
The canonical SMILES for 4-chloro-2-[methyl(2-pyrrolidin-1-ylethyl)amino]benzoic acid is CN(CCN1CCCC1)c1cc(Cl)ccc1C(=O)O.
What is the InChIKey of 4-chloro-2-[methyl(2-pyrrolidin-1-ylethyl)amino]benzoic acid?
The InChIKey is SNJDRJFFEGPCSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-16(8-9-17-6-2-3-7-17)13-10-11(15)4-5-12(13)14(18)19/h4-5,10H,2-3,6-9H2,1H3,(H,18,19).
What are the key properties of 4-chloro-2-[methyl(2-pyrrolidin-1-ylethyl)amino]benzoic acid?
4-chloro-2-[methyl(2-pyrrolidin-1-ylethyl)amino]benzoic acid has a molecular weight of 282.77 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[methyl(2-pyrrolidin-1-ylethyl)amino]benzoic acid is sourced from PubChem (CID 63209038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).