N-(2-chloro-1-phenylethyl)-5-fluoropyridine-2-carboxamide

C14H12ClFN2O — CID 104643141

IUPACN-(2-chloro-1-phenylethyl)-5-fluoropyridine-2-carboxamide
SMILESO=C(NC(CCl)c1ccccc1)c1ccc(F)cn1
InChIInChI=1S/C14H12ClFN2O/c15-8-13(10-4-2-1-3-5-10)18-14(19)12-7-6-11(16)9-17-12/h1-7,9,13H,8H2,(H,18,19)
InChIKeyKQYGBTFHOGVHHU-UHFFFAOYSA-N
MW278.71 g/mol
LogP2.93
Rot. Bonds4

About N-(2-chloro-1-phenylethyl)-5-fluoropyridine-2-carboxamide

N-(2-chloro-1-phenylethyl)-5-fluoropyridine-2-carboxamide (PubChem CID 104643141) has the molecular formula C14H12ClFN2O and a molecular weight of 278.71 g/mol. Its IUPAC name is N-(2-chloro-1-phenylethyl)-5-fluoropyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-1-phenylethyl)-5-fluoropyridine-2-carboxamide
PubChem CID104643141
Molecular FormulaC14H12ClFN2O
Molecular Weight278.71 g/mol
Exact Mass278.06
IUPAC NameN-(2-chloro-1-phenylethyl)-5-fluoropyridine-2-carboxamide
SMILESO=C(NC(CCl)c1ccccc1)c1ccc(F)cn1
InChIInChI=1S/C14H12ClFN2O/c15-8-13(10-4-2-1-3-5-10)18-14(19)12-7-6-11(16)9-17-12/h1-7,9,13H,8H2,(H,18,19)
InChIKeyKQYGBTFHOGVHHU-UHFFFAOYSA-N
XLogP2.93
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.71
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloro-1-phenylethyl)-1,2-oxazole-3-carboxamide
CID 114300229
5-fluoro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-2-carboxamide
CID 102673867
2-[(5-fluoropyridine-2-carbonyl)amino]-3-hydroxypropanoic acid
CID 104638117
N-(2-bromo-1-phenylethyl)-5-chloropyridine-2-carboxamide
CID 113274731
N-(2-chloro-1-phenylethyl)-3,4,5-trifluorobenzamide
CID 114300143
(2R)-2-(2-chlorophenyl)-2-[(5-fluoropyridine-2-carbonyl)amino]acetic acid
CID 107314623
3-[(5-fluoropyridine-2-carbonyl)amino]-2-methylbutanoic acid
CID 104638404
N-(2-chloro-1-phenylethyl)-2-(2,4-difluorophenyl)acetamide
CID 114300048
N-(2-chloro-1-phenylethyl)-2-ethoxybenzamide
CID 114300243
N-(2-chloro-1-phenylethyl)-2-methoxybenzamide
CID 114300240
N-(4-bromopentan-2-yl)-5-fluoropyridine-2-carboxamide
CID 104643211
4-bromo-N-(2-chloro-1-phenylethyl)-3-fluorobenzamide
CID 114300186

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-1-phenylethyl)-5-fluoropyridine-2-carboxamide?
The IUPAC name of N-(2-chloro-1-phenylethyl)-5-fluoropyridine-2-carboxamide (CID 104643141) is N-(2-chloro-1-phenylethyl)-5-fluoropyridine-2-carboxamide.
What is the SMILES notation for N-(2-chloro-1-phenylethyl)-5-fluoropyridine-2-carboxamide?
The canonical SMILES for N-(2-chloro-1-phenylethyl)-5-fluoropyridine-2-carboxamide is O=C(NC(CCl)c1ccccc1)c1ccc(F)cn1.
What is the InChIKey of N-(2-chloro-1-phenylethyl)-5-fluoropyridine-2-carboxamide?
The InChIKey is KQYGBTFHOGVHHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O/c15-8-13(10-4-2-1-3-5-10)18-14(19)12-7-6-11(16)9-17-12/h1-7,9,13H,8H2,(H,18,19).
What are the key properties of N-(2-chloro-1-phenylethyl)-5-fluoropyridine-2-carboxamide?
N-(2-chloro-1-phenylethyl)-5-fluoropyridine-2-carboxamide has a molecular weight of 278.71 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-1-phenylethyl)-5-fluoropyridine-2-carboxamide is sourced from PubChem (CID 104643141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).