2-[(1R)-1-(4-chlorophenyl)ethyl]-3-fluoro-4-pyridin-4-ylbenzamide

C20H16ClFN2O — CID 140555995

IUPAC2-[(1R)-1-(4-chlorophenyl)ethyl]-3-fluoro-4-pyridin-4-ylbenzamide
SMILESC[C@H](c1ccc(Cl)cc1)c1c(C(N)=O)ccc(-c2ccncc2)c1F
InChIInChI=1S/C20H16ClFN2O/c1-12(13-2-4-15(21)5-3-13)18-17(20(23)25)7-6-16(19(18)22)14-8-10-24-11-9-14/h2-12H,1H3,(H2,23,25)/t12-/m1/s1
InChIKeyLSMOFCBDHFFKBS-GFCCVEGCSA-N
MW354.81 g/mol
LogP4.79
Rot. Bonds4

About 2-[(1R)-1-(4-chlorophenyl)ethyl]-3-fluoro-4-pyridin-4-ylbenzamide

2-[(1R)-1-(4-chlorophenyl)ethyl]-3-fluoro-4-pyridin-4-ylbenzamide (PubChem CID 140555995) has the molecular formula C20H16ClFN2O and a molecular weight of 354.81 g/mol. Its IUPAC name is 2-[(1R)-1-(4-chlorophenyl)ethyl]-3-fluoro-4-pyridin-4-ylbenzamide.

Molecular Properties

Compound Name2-[(1R)-1-(4-chlorophenyl)ethyl]-3-fluoro-4-pyridin-4-ylbenzamide
PubChem CID140555995
Molecular FormulaC20H16ClFN2O
Molecular Weight354.81 g/mol
Exact Mass354.09
IUPAC Name2-[(1R)-1-(4-chlorophenyl)ethyl]-3-fluoro-4-pyridin-4-ylbenzamide
SMILESC[C@H](c1ccc(Cl)cc1)c1c(C(N)=O)ccc(-c2ccncc2)c1F
InChIInChI=1S/C20H16ClFN2O/c1-12(13-2-4-15(21)5-3-13)18-17(20(23)25)7-6-16(19(18)22)14-8-10-24-11-9-14/h2-12H,1H3,(H2,23,25)/t12-/m1/s1
InChIKeyLSMOFCBDHFFKBS-GFCCVEGCSA-N
XLogP4.79
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.81
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(4-bromophenyl)ethyl]-3-fluoro-4-pyridin-4-ylbenzamide
CID 174628360
2,6-difluoro-3-pyridin-4-ylaniline
CID 165453925
2-fluoro-5-pyridin-4-ylbenzamide
CID 46315517
4,6-dipyridin-4-ylbenzene-1,3-dicarboxamide
CID 159949723
2-[(1S)-1-phenylethyl]-4-pyridin-4-ylbenzamide
CID 140555965
2-chloro-6-ethyl-5-pyridin-4-ylpyridine-3-carboxamide
CID 20509442
1-(2,3-dichloro-4-pyridin-4-ylphenyl)ethanone
CID 70353964
3-[4-(4-chlorophenyl)-3-pyridinyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide
CID 142796534
2-(1-phenylethyl)benzene-1,3-dicarboxamide
CID 68956962
2-fluoro-6-pyridin-4-ylbenzamide
CID 46315506
ethyl 2-fluoro-3,6-dipyridin-4-ylbenzoate
CID 46317978
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-methoxy-4-pyridin-4-ylbenzamide
CID 68513343

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-(4-chlorophenyl)ethyl]-3-fluoro-4-pyridin-4-ylbenzamide?
The IUPAC name of 2-[(1R)-1-(4-chlorophenyl)ethyl]-3-fluoro-4-pyridin-4-ylbenzamide (CID 140555995) is 2-[(1R)-1-(4-chlorophenyl)ethyl]-3-fluoro-4-pyridin-4-ylbenzamide.
What is the SMILES notation for 2-[(1R)-1-(4-chlorophenyl)ethyl]-3-fluoro-4-pyridin-4-ylbenzamide?
The canonical SMILES for 2-[(1R)-1-(4-chlorophenyl)ethyl]-3-fluoro-4-pyridin-4-ylbenzamide is C[C@H](c1ccc(Cl)cc1)c1c(C(N)=O)ccc(-c2ccncc2)c1F.
What is the InChIKey of 2-[(1R)-1-(4-chlorophenyl)ethyl]-3-fluoro-4-pyridin-4-ylbenzamide?
The InChIKey is LSMOFCBDHFFKBS-GFCCVEGCSA-N. The full InChI is InChI=1S/C20H16ClFN2O/c1-12(13-2-4-15(21)5-3-13)18-17(20(23)25)7-6-16(19(18)22)14-8-10-24-11-9-14/h2-12H,1H3,(H2,23,25)/t12-/m1/s1.
What are the key properties of 2-[(1R)-1-(4-chlorophenyl)ethyl]-3-fluoro-4-pyridin-4-ylbenzamide?
2-[(1R)-1-(4-chlorophenyl)ethyl]-3-fluoro-4-pyridin-4-ylbenzamide has a molecular weight of 354.81 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-(4-chlorophenyl)ethyl]-3-fluoro-4-pyridin-4-ylbenzamide is sourced from PubChem (CID 140555995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).