5-[[(2-chlorophenyl)methyl-(3-fluorobenzoyl)amino]methyl]pyridine-2-carboxylic acid

C21H16ClFN2O3 — CID 166869444

IUPAC5-[[(2-chlorophenyl)methyl-(3-fluorobenzoyl)amino]methyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(CN(Cc2ccccc2Cl)C(=O)c2cccc(F)c2)cn1
InChIInChI=1S/C21H16ClFN2O3/c22-18-7-2-1-4-16(18)13-25(20(26)15-5-3-6-17(23)10-15)12-14-8-9-19(21(27)28)24-11-14/h1-11H,12-13H2,(H,27,28)
InChIKeyQULFDRLLSQQACQ-UHFFFAOYSA-N
MW398.82 g/mol
LogP4.41
Rot. Bonds6

About 5-[[(2-chlorophenyl)methyl-(3-fluorobenzoyl)amino]methyl]pyridine-2-carboxylic acid

5-[[(2-chlorophenyl)methyl-(3-fluorobenzoyl)amino]methyl]pyridine-2-carboxylic acid (PubChem CID 166869444) has the molecular formula C21H16ClFN2O3 and a molecular weight of 398.82 g/mol. Its IUPAC name is 5-[[(2-chlorophenyl)methyl-(3-fluorobenzoyl)amino]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(2-chlorophenyl)methyl-(3-fluorobenzoyl)amino]methyl]pyridine-2-carboxylic acid
PubChem CID166869444
Molecular FormulaC21H16ClFN2O3
Molecular Weight398.82 g/mol
Exact Mass398.08
IUPAC Name5-[[(2-chlorophenyl)methyl-(3-fluorobenzoyl)amino]methyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(CN(Cc2ccccc2Cl)C(=O)c2cccc(F)c2)cn1
InChIInChI=1S/C21H16ClFN2O3/c22-18-7-2-1-4-16(18)13-25(20(26)15-5-3-6-17(23)10-15)12-14-8-9-19(21(27)28)24-11-14/h1-11H,12-13H2,(H,27,28)
InChIKeyQULFDRLLSQQACQ-UHFFFAOYSA-N
XLogP4.41
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.82
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,4-dichlorophenyl)methyl]-3-fluoro-N-[(6-methyl-3-pyridinyl)methyl]benzamide
CID 168853785
5-[(2-chlorophenyl)methyl-methylamino]pyridine-2-carboxylic acid
CID 113321608
2-[benzyl-(3-fluorobenzoyl)amino]acetic acid
CID 84583368
5-[[[(1R)-1-(2,3-dichlorophenyl)propyl]-(3,5-difluorobenzoyl)amino]methyl]pyridine-2-carboxylic acid
CID 168853792
5-[[(3-chloro-2-fluorobenzoyl)amino]methyl]pyridine-2-carboxylic acid
CID 81266256
5-[[(2-chloro-6-fluorobenzoyl)amino]methyl]pyridine-2-carboxylic acid
CID 81091399
N-benzyl-3-fluoro-N-propylbenzamide
CID 134028425
1-[(2-chlorophenyl)methyl]-N-ethyl-N-[(3-fluorophenyl)methyl]pyrazole-4-carboxamide
CID 18132117
N-[(2,4-dichlorophenyl)methyl]-3-fluoro-N-(pyridazin-3-ylmethyl)benzamide
CID 168853786
[4-[[benzyl-(3-fluorobenzoyl)amino]methyl]phenyl] methanesulfonate
CID 3553851
N-[2-[[[3-(aminomethyl)phenyl]methyl-(3-fluorobenzoyl)amino]methyl]phenyl]-3-fluorobenzamide
CID 23962180
N-benzyl-3-[(2-chlorophenyl)methoxy]-N-ethylbenzamide
CID 100750102

Frequently Asked Questions

What is the IUPAC name of 5-[[(2-chlorophenyl)methyl-(3-fluorobenzoyl)amino]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[[(2-chlorophenyl)methyl-(3-fluorobenzoyl)amino]methyl]pyridine-2-carboxylic acid (CID 166869444) is 5-[[(2-chlorophenyl)methyl-(3-fluorobenzoyl)amino]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[[(2-chlorophenyl)methyl-(3-fluorobenzoyl)amino]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[[(2-chlorophenyl)methyl-(3-fluorobenzoyl)amino]methyl]pyridine-2-carboxylic acid is O=C(O)c1ccc(CN(Cc2ccccc2Cl)C(=O)c2cccc(F)c2)cn1.
What is the InChIKey of 5-[[(2-chlorophenyl)methyl-(3-fluorobenzoyl)amino]methyl]pyridine-2-carboxylic acid?
The InChIKey is QULFDRLLSQQACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClFN2O3/c22-18-7-2-1-4-16(18)13-25(20(26)15-5-3-6-17(23)10-15)12-14-8-9-19(21(27)28)24-11-14/h1-11H,12-13H2,(H,27,28).
What are the key properties of 5-[[(2-chlorophenyl)methyl-(3-fluorobenzoyl)amino]methyl]pyridine-2-carboxylic acid?
5-[[(2-chlorophenyl)methyl-(3-fluorobenzoyl)amino]methyl]pyridine-2-carboxylic acid has a molecular weight of 398.82 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2-chlorophenyl)methyl-(3-fluorobenzoyl)amino]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 166869444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).