3-(4-chlorophenyl)-3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)propanamide

C21H18ClFN2O — CID 45142910

IUPAC3-(4-chlorophenyl)-3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)propanamide
SMILESO=C(CC(c1ccc(F)cc1)c1ccc(Cl)cc1)NCc1cccnc1
InChIInChI=1S/C21H18ClFN2O/c22-18-7-3-16(4-8-18)20(17-5-9-19(23)10-6-17)12-21(26)25-14-15-2-1-11-24-13-15/h1-11,13,20H,12,14H2,(H,25,26)
InChIKeyIIIBRVOCGTUQIM-UHFFFAOYSA-N
MW368.84 g/mol
LogP4.71
Rot. Bonds6

About 3-(4-chlorophenyl)-3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)propanamide

3-(4-chlorophenyl)-3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 45142910) has the molecular formula C21H18ClFN2O and a molecular weight of 368.84 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)propanamide
PubChem CID45142910
Molecular FormulaC21H18ClFN2O
Molecular Weight368.84 g/mol
Exact Mass368.11
IUPAC Name3-(4-chlorophenyl)-3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)propanamide
SMILESO=C(CC(c1ccc(F)cc1)c1ccc(Cl)cc1)NCc1cccnc1
InChIInChI=1S/C21H18ClFN2O/c22-18-7-3-16(4-8-18)20(17-5-9-19(23)10-6-17)12-21(26)25-14-15-2-1-11-24-13-15/h1-11,13,20H,12,14H2,(H,25,26)
InChIKeyIIIBRVOCGTUQIM-UHFFFAOYSA-N
XLogP4.71
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.84
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-diphenyl-N-(pyridin-3-ylmethyl)propanamide
CID 690534
3-(1-ethylindol-3-yl)-3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 42801286
3-(4-methoxyphenyl)-3-phenyl-N-(pyridin-3-ylmethyl)propanamide
CID 45194858
(3S)-3-(3-chlorophenyl)-3-(3-hydroxyphenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 42533121
3-(1-benzyl-5-nitroindol-3-yl)-3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 42801418
2-[1-(3-chloro-4-fluorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)acetamide
CID 75497285
3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-(2-fluorophenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 42783702
N-[(4-fluorophenyl)methyl]-3-pyridin-3-ylbutanamide
CID 110648100
3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(4-fluorophenyl)methyl]-3-phenylpropanamide
CID 4611202
N-[(4-fluorophenyl)methyl]-3-(pyridin-3-ylmethylamino)propanamide
CID 109021011
3-[(4-chlorophenyl)methylamino]-N-(pyridin-3-ylmethyl)propanamide
CID 109021790
1-[(1R)-1-(4-chlorophenyl)propyl]-3-(pyridin-3-ylmethyl)urea
CID 30259728

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of 3-(4-chlorophenyl)-3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)propanamide (CID 45142910) is 3-(4-chlorophenyl)-3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)-3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for 3-(4-chlorophenyl)-3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)propanamide is O=C(CC(c1ccc(F)cc1)c1ccc(Cl)cc1)NCc1cccnc1.
What is the InChIKey of 3-(4-chlorophenyl)-3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is IIIBRVOCGTUQIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClFN2O/c22-18-7-3-16(4-8-18)20(17-5-9-19(23)10-6-17)12-21(26)25-14-15-2-1-11-24-13-15/h1-11,13,20H,12,14H2,(H,25,26).
What are the key properties of 3-(4-chlorophenyl)-3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)propanamide?
3-(4-chlorophenyl)-3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 368.84 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 45142910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).