2-(3-fluorophenyl)-N-[4-(2-methyl-4-pyridinyl)phenyl]butanamide

C22H21FN2O — CID 42638599

IUPAC2-(3-fluorophenyl)-N-[4-(2-methyl-4-pyridinyl)phenyl]butanamide
SMILESCCC(C(=O)Nc1ccc(-c2ccnc(C)c2)cc1)c1cccc(F)c1
InChIInChI=1S/C22H21FN2O/c1-3-21(18-5-4-6-19(23)14-18)22(26)25-20-9-7-16(8-10-20)17-11-12-24-15(2)13-17/h4-14,21H,3H2,1-2H3,(H,25,26)
InChIKeyDHSDRZLTFCVPSO-UHFFFAOYSA-N
MW348.42 g/mol
LogP5.33
Rot. Bonds5

About 2-(3-fluorophenyl)-N-[4-(2-methyl-4-pyridinyl)phenyl]butanamide

2-(3-fluorophenyl)-N-[4-(2-methyl-4-pyridinyl)phenyl]butanamide (PubChem CID 42638599) has the molecular formula C22H21FN2O and a molecular weight of 348.42 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-[4-(2-methyl-4-pyridinyl)phenyl]butanamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N-[4-(2-methyl-4-pyridinyl)phenyl]butanamide
PubChem CID42638599
Molecular FormulaC22H21FN2O
Molecular Weight348.42 g/mol
Exact Mass348.16
IUPAC Name2-(3-fluorophenyl)-N-[4-(2-methyl-4-pyridinyl)phenyl]butanamide
SMILESCCC(C(=O)Nc1ccc(-c2ccnc(C)c2)cc1)c1cccc(F)c1
InChIInChI=1S/C22H21FN2O/c1-3-21(18-5-4-6-19(23)14-18)22(26)25-20-9-7-16(8-10-20)17-11-12-24-15(2)13-17/h4-14,21H,3H2,1-2H3,(H,25,26)
InChIKeyDHSDRZLTFCVPSO-UHFFFAOYSA-N
XLogP5.33
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.42
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(3-bromophenyl)-N-[4-(2-methyl-4-pyridinyl)phenyl]pentanamide
CID 123178305
4-methyl-N-[4-(2-methyl-4-pyridinyl)phenyl]-2-(4-phenylphenyl)pentanamide
CID 67309518
2-(3-bromo-4-fluorophenyl)-4-methyl-N-[4-(2-methyl-4-pyridinyl)phenyl]pentanamide
CID 123982115
2-[3-(3-cyanophenyl)phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide
CID 67309019
ethane;2-[3-[6-(methylamino)-3-pyridinyl]phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide
CID 143818025
1-(2-ethylphenyl)-3-[4-(2-methyl-4-pyridinyl)phenyl]urea
CID 67053153
(2R)-2-(3-fluoro-4-phenylphenyl)-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide
CID 67307773
(2R)-N-(4-methylphenyl)-2-phenylbutanamide
CID 835806
1-[1-(2-methylphenyl)propan-2-yl]-3-[4-(2-methyl-4-pyridinyl)phenyl]urea
CID 67053045
N,2-bis(4-methylphenyl)butanamide
CID 2750915
(2S)-N-(3,5-difluorophenyl)-2-phenylbutanamide
CID 7369071
(2R)-N-[4-(2-methyl-4-pyridinyl)phenyl]-2-[3-(4-morpholin-4-ylphenyl)phenyl]propanamide
CID 67308603

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-N-[4-(2-methyl-4-pyridinyl)phenyl]butanamide?
The IUPAC name of 2-(3-fluorophenyl)-N-[4-(2-methyl-4-pyridinyl)phenyl]butanamide (CID 42638599) is 2-(3-fluorophenyl)-N-[4-(2-methyl-4-pyridinyl)phenyl]butanamide.
What is the SMILES notation for 2-(3-fluorophenyl)-N-[4-(2-methyl-4-pyridinyl)phenyl]butanamide?
The canonical SMILES for 2-(3-fluorophenyl)-N-[4-(2-methyl-4-pyridinyl)phenyl]butanamide is CCC(C(=O)Nc1ccc(-c2ccnc(C)c2)cc1)c1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)-N-[4-(2-methyl-4-pyridinyl)phenyl]butanamide?
The InChIKey is DHSDRZLTFCVPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O/c1-3-21(18-5-4-6-19(23)14-18)22(26)25-20-9-7-16(8-10-20)17-11-12-24-15(2)13-17/h4-14,21H,3H2,1-2H3,(H,25,26).
What are the key properties of 2-(3-fluorophenyl)-N-[4-(2-methyl-4-pyridinyl)phenyl]butanamide?
2-(3-fluorophenyl)-N-[4-(2-methyl-4-pyridinyl)phenyl]butanamide has a molecular weight of 348.42 g/mol, XLogP of 5.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-N-[4-(2-methyl-4-pyridinyl)phenyl]butanamide is sourced from PubChem (CID 42638599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).