2-chloro-N-[(5-cyclopropyl-3-pyridinyl)methyl]-6-fluorobenzamide

C16H14ClFN2O — CID 122246847

IUPAC2-chloro-N-[(5-cyclopropyl-3-pyridinyl)methyl]-6-fluorobenzamide
SMILESO=C(NCc1cncc(C2CC2)c1)c1c(F)cccc1Cl
InChIInChI=1S/C16H14ClFN2O/c17-13-2-1-3-14(18)15(13)16(21)20-8-10-6-12(9-19-7-10)11-4-5-11/h1-3,6-7,9,11H,4-5,8H2,(H,20,21)
InChIKeyHLJYHKBRVJIRDK-UHFFFAOYSA-N
MW304.75 g/mol
LogP3.68
Rot. Bonds4

About 2-chloro-N-[(5-cyclopropyl-3-pyridinyl)methyl]-6-fluorobenzamide

2-chloro-N-[(5-cyclopropyl-3-pyridinyl)methyl]-6-fluorobenzamide (PubChem CID 122246847) has the molecular formula C16H14ClFN2O and a molecular weight of 304.75 g/mol. Its IUPAC name is 2-chloro-N-[(5-cyclopropyl-3-pyridinyl)methyl]-6-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-[(5-cyclopropyl-3-pyridinyl)methyl]-6-fluorobenzamide
PubChem CID122246847
Molecular FormulaC16H14ClFN2O
Molecular Weight304.75 g/mol
Exact Mass304.08
IUPAC Name2-chloro-N-[(5-cyclopropyl-3-pyridinyl)methyl]-6-fluorobenzamide
SMILESO=C(NCc1cncc(C2CC2)c1)c1c(F)cccc1Cl
InChIInChI=1S/C16H14ClFN2O/c17-13-2-1-3-14(18)15(13)16(21)20-8-10-6-12(9-19-7-10)11-4-5-11/h1-3,6-7,9,11H,4-5,8H2,(H,20,21)
InChIKeyHLJYHKBRVJIRDK-UHFFFAOYSA-N
XLogP3.68
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.75
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[(3-chlorophenyl)methyl]-6-fluorobenzamide
CID 2679700
2-chloro-N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-6-fluorobenzamide
CID 71808581
2-chloro-6-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 14772555
2-chloro-6-fluoro-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]benzamide
CID 112993068
5-[[(2-chloro-6-fluorobenzoyl)amino]methyl]pyridine-2-carboxylic acid
CID 81091399
N-[(5-cyclopropyl-3-pyridinyl)methyl]-3,5-bis(trifluoromethyl)benzamide
CID 122246902
2-chloro-N-[2-(cyclopropylamino)ethyl]-6-fluorobenzamide
CID 62664556
2-chloro-N-[(4-chlorocyclohexyl)methyl]-6-fluorobenzamide
CID 114147976
2-chloro-6-fluoro-N-(3-pyridin-3-ylpropyl)benzamide
CID 110400269
2-chloro-6-fluoro-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895942
2-chloro-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-6-fluorobenzamide
CID 72718413
2,6-difluoro-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide
CID 121022339

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(5-cyclopropyl-3-pyridinyl)methyl]-6-fluorobenzamide?
The IUPAC name of 2-chloro-N-[(5-cyclopropyl-3-pyridinyl)methyl]-6-fluorobenzamide (CID 122246847) is 2-chloro-N-[(5-cyclopropyl-3-pyridinyl)methyl]-6-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-[(5-cyclopropyl-3-pyridinyl)methyl]-6-fluorobenzamide?
The canonical SMILES for 2-chloro-N-[(5-cyclopropyl-3-pyridinyl)methyl]-6-fluorobenzamide is O=C(NCc1cncc(C2CC2)c1)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-N-[(5-cyclopropyl-3-pyridinyl)methyl]-6-fluorobenzamide?
The InChIKey is HLJYHKBRVJIRDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN2O/c17-13-2-1-3-14(18)15(13)16(21)20-8-10-6-12(9-19-7-10)11-4-5-11/h1-3,6-7,9,11H,4-5,8H2,(H,20,21).
What are the key properties of 2-chloro-N-[(5-cyclopropyl-3-pyridinyl)methyl]-6-fluorobenzamide?
2-chloro-N-[(5-cyclopropyl-3-pyridinyl)methyl]-6-fluorobenzamide has a molecular weight of 304.75 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(5-cyclopropyl-3-pyridinyl)methyl]-6-fluorobenzamide is sourced from PubChem (CID 122246847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).