4-chloro-5-fluoro-N-[(1-phenylcyclopropyl)methyl]pyridine-3-carboxamide

C16H14ClFN2O — CID 126828456

IUPAC4-chloro-5-fluoro-N-[(1-phenylcyclopropyl)methyl]pyridine-3-carboxamide
SMILESO=C(NCC1(c2ccccc2)CC1)c1cncc(F)c1Cl
InChIInChI=1S/C16H14ClFN2O/c17-14-12(8-19-9-13(14)18)15(21)20-10-16(6-7-16)11-4-2-1-3-5-11/h1-5,8-9H,6-7,10H2,(H,20,21)
InChIKeyNXOPJMFZJKXZDC-UHFFFAOYSA-N
MW304.75 g/mol
LogP3.34
Rot. Bonds4

About 4-chloro-5-fluoro-N-[(1-phenylcyclopropyl)methyl]pyridine-3-carboxamide

4-chloro-5-fluoro-N-[(1-phenylcyclopropyl)methyl]pyridine-3-carboxamide (PubChem CID 126828456) has the molecular formula C16H14ClFN2O and a molecular weight of 304.75 g/mol. Its IUPAC name is 4-chloro-5-fluoro-N-[(1-phenylcyclopropyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-5-fluoro-N-[(1-phenylcyclopropyl)methyl]pyridine-3-carboxamide
PubChem CID126828456
Molecular FormulaC16H14ClFN2O
Molecular Weight304.75 g/mol
Exact Mass304.08
IUPAC Name4-chloro-5-fluoro-N-[(1-phenylcyclopropyl)methyl]pyridine-3-carboxamide
SMILESO=C(NCC1(c2ccccc2)CC1)c1cncc(F)c1Cl
InChIInChI=1S/C16H14ClFN2O/c17-14-12(8-19-9-13(14)18)15(21)20-10-16(6-7-16)11-4-2-1-3-5-11/h1-5,8-9H,6-7,10H2,(H,20,21)
InChIKeyNXOPJMFZJKXZDC-UHFFFAOYSA-N
XLogP3.34
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 ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-fluorobenzamide
CID 42265696
2-chloro-N-[(1-phenylcyclopentyl)methyl]benzamide
CID 847347
5,6-dichloro-N-[(1-phenylcyclopropyl)methyl]pyridine-3-carboxamide
CID 46462401
1-(2-fluorophenyl)-5-methyl-N-[(1-phenylcyclopropyl)methyl]pyrazole-4-carboxamide
CID 134026765
2,6-dichloro-N-[(1-phenylcyclopropyl)methyl]pyridine-4-carboxamide
CID 29293830
2-hydroxy-4-methyl-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 32625534
2,5-dichloro-N-[(4-phenyloxan-4-yl)methyl]benzamide
CID 27448808
3-chloro-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 18153649
N-[[1-(4-chlorophenyl)cyclopropyl]methyl]pyridine-3-carboxamide
CID 113090713
2-chloro-6-fluoro-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]benzamide
CID 42266029
2,4-dichloro-N-[(4-phenyloxan-4-yl)methyl]benzamide
CID 1082222
1-(2,6-difluorophenyl)-3-[(1-phenylcyclopropyl)methyl]urea
CID 113213951

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-fluoro-N-[(1-phenylcyclopropyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 4-chloro-5-fluoro-N-[(1-phenylcyclopropyl)methyl]pyridine-3-carboxamide (CID 126828456) is 4-chloro-5-fluoro-N-[(1-phenylcyclopropyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-5-fluoro-N-[(1-phenylcyclopropyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 4-chloro-5-fluoro-N-[(1-phenylcyclopropyl)methyl]pyridine-3-carboxamide is O=C(NCC1(c2ccccc2)CC1)c1cncc(F)c1Cl.
What is the InChIKey of 4-chloro-5-fluoro-N-[(1-phenylcyclopropyl)methyl]pyridine-3-carboxamide?
The InChIKey is NXOPJMFZJKXZDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN2O/c17-14-12(8-19-9-13(14)18)15(21)20-10-16(6-7-16)11-4-2-1-3-5-11/h1-5,8-9H,6-7,10H2,(H,20,21).
What are the key properties of 4-chloro-5-fluoro-N-[(1-phenylcyclopropyl)methyl]pyridine-3-carboxamide?
4-chloro-5-fluoro-N-[(1-phenylcyclopropyl)methyl]pyridine-3-carboxamide has a molecular weight of 304.75 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-fluoro-N-[(1-phenylcyclopropyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 126828456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).