2,4-difluoro-5-[(3-methylpiperidine-2-carbonyl)amino]benzoic acid

C14H16F2N2O3 — CID 107067256

IUPAC2,4-difluoro-5-[(3-methylpiperidine-2-carbonyl)amino]benzoic acid
SMILESCC1CCCNC1C(=O)Nc1cc(C(=O)O)c(F)cc1F
InChIInChI=1S/C14H16F2N2O3/c1-7-3-2-4-17-12(7)13(19)18-11-5-8(14(20)21)9(15)6-10(11)16/h5-7,12,17H,2-4H2,1H3,(H,18,19)(H,20,21)
InChIKeyBDBCDXGMUPFFTQ-UHFFFAOYSA-N
MW298.29 g/mol
LogP1.99
Rot. Bonds3

About 2,4-difluoro-5-[(3-methylpiperidine-2-carbonyl)amino]benzoic acid

2,4-difluoro-5-[(3-methylpiperidine-2-carbonyl)amino]benzoic acid (PubChem CID 107067256) has the molecular formula C14H16F2N2O3 and a molecular weight of 298.29 g/mol. Its IUPAC name is 2,4-difluoro-5-[(3-methylpiperidine-2-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name2,4-difluoro-5-[(3-methylpiperidine-2-carbonyl)amino]benzoic acid
PubChem CID107067256
Molecular FormulaC14H16F2N2O3
Molecular Weight298.29 g/mol
Exact Mass298.11
IUPAC Name2,4-difluoro-5-[(3-methylpiperidine-2-carbonyl)amino]benzoic acid
SMILESCC1CCCNC1C(=O)Nc1cc(C(=O)O)c(F)cc1F
InChIInChI=1S/C14H16F2N2O3/c1-7-3-2-4-17-12(7)13(19)18-11-5-8(14(20)21)9(15)6-10(11)16/h5-7,12,17H,2-4H2,1H3,(H,18,19)(H,20,21)
InChIKeyBDBCDXGMUPFFTQ-UHFFFAOYSA-N
XLogP1.99
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.29
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-3-[(3-methylpiperidine-2-carbonyl)amino]benzoic acid
CID 107067490
methyl 2,4-difluoro-5-[(3-methylpyrrolidine-2-carbonyl)amino]benzoate
CID 102778214
3-methyl-N-(2,3,5,6-tetrafluorophenyl)piperidine-2-carboxamide
CID 107641806
5-iodo-2-[(3-methylpiperidine-2-carbonyl)amino]benzoic acid
CID 107068158
2,4-difluoro-5-[(2-methylcyclopentyl)amino]benzoic acid
CID 65043851
N-(4-fluoro-2-methylphenyl)-3-methylpiperidine-2-carboxamide
CID 62339106
3-fluoro-4-[(3-methylpyrrolidine-2-carbonyl)amino]benzoic acid
CID 102779420
5-[(2,6-dimethylcyclohexyl)amino]-2,4-difluorobenzoic acid
CID 43737100
N-(4-fluoro-2-iodophenyl)-3-methylpiperidine-2-carboxamide
CID 107068357
N-(2-bromo-5-fluorophenyl)-3-methylpiperidine-2-carboxamide
CID 107625732
4-chloro-3-[(3-methylpiperidine-2-carbonyl)amino]benzoic acid
CID 107067888
N-(3-carbamoyl-4-fluorophenyl)-3-methylpiperidine-2-carboxamide
CID 107067383

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-5-[(3-methylpiperidine-2-carbonyl)amino]benzoic acid?
The IUPAC name of 2,4-difluoro-5-[(3-methylpiperidine-2-carbonyl)amino]benzoic acid (CID 107067256) is 2,4-difluoro-5-[(3-methylpiperidine-2-carbonyl)amino]benzoic acid.
What is the SMILES notation for 2,4-difluoro-5-[(3-methylpiperidine-2-carbonyl)amino]benzoic acid?
The canonical SMILES for 2,4-difluoro-5-[(3-methylpiperidine-2-carbonyl)amino]benzoic acid is CC1CCCNC1C(=O)Nc1cc(C(=O)O)c(F)cc1F.
What is the InChIKey of 2,4-difluoro-5-[(3-methylpiperidine-2-carbonyl)amino]benzoic acid?
The InChIKey is BDBCDXGMUPFFTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2O3/c1-7-3-2-4-17-12(7)13(19)18-11-5-8(14(20)21)9(15)6-10(11)16/h5-7,12,17H,2-4H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 2,4-difluoro-5-[(3-methylpiperidine-2-carbonyl)amino]benzoic acid?
2,4-difluoro-5-[(3-methylpiperidine-2-carbonyl)amino]benzoic acid has a molecular weight of 298.29 g/mol, XLogP of 1.99, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-5-[(3-methylpiperidine-2-carbonyl)amino]benzoic acid is sourced from PubChem (CID 107067256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).