4-(4-fluorophenyl)-N-[(S)-(3-fluorophenyl)-pyridin-2-ylmethyl]-N-methyl-4-oxobutanamide

C23H20F2N2O2 — CID 52524823

IUPAC4-(4-fluorophenyl)-N-[(S)-(3-fluorophenyl)-pyridin-2-ylmethyl]-N-methyl-4-oxobutanamide
SMILESCN(C(=O)CCC(=O)c1ccc(F)cc1)[C@@H](c1cccc(F)c1)c1ccccn1
InChIInChI=1S/C23H20F2N2O2/c1-27(22(29)13-12-21(28)16-8-10-18(24)11-9-16)23(20-7-2-3-14-26-20)17-5-4-6-19(25)15-17/h2-11,14-15,23H,12-13H2,1H3/t23-/m0/s1
InChIKeyZBZCLYBNCBVMIG-QHCPKHFHSA-N
MW394.42 g/mol
LogP4.57
Rot. Bonds7

About 4-(4-fluorophenyl)-N-[(S)-(3-fluorophenyl)-pyridin-2-ylmethyl]-N-methyl-4-oxobutanamide

4-(4-fluorophenyl)-N-[(S)-(3-fluorophenyl)-pyridin-2-ylmethyl]-N-methyl-4-oxobutanamide (PubChem CID 52524823) has the molecular formula C23H20F2N2O2 and a molecular weight of 394.42 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-[(S)-(3-fluorophenyl)-pyridin-2-ylmethyl]-N-methyl-4-oxobutanamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-[(S)-(3-fluorophenyl)-pyridin-2-ylmethyl]-N-methyl-4-oxobutanamide
PubChem CID52524823
Molecular FormulaC23H20F2N2O2
Molecular Weight394.42 g/mol
Exact Mass394.15
IUPAC Name4-(4-fluorophenyl)-N-[(S)-(3-fluorophenyl)-pyridin-2-ylmethyl]-N-methyl-4-oxobutanamide
SMILESCN(C(=O)CCC(=O)c1ccc(F)cc1)[C@@H](c1cccc(F)c1)c1ccccn1
InChIInChI=1S/C23H20F2N2O2/c1-27(22(29)13-12-21(28)16-8-10-18(24)11-9-16)23(20-7-2-3-14-26-20)17-5-4-6-19(25)15-17/h2-11,14-15,23H,12-13H2,1H3/t23-/m0/s1
InChIKeyZBZCLYBNCBVMIG-QHCPKHFHSA-N
XLogP4.57
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.42
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(S)-(3-fluorophenyl)-pyridin-2-ylmethyl]-1-methyl-3-phenylurea
CID 95150596
2-(cyclopropylmethoxy)-N-[(R)-(3-fluorophenyl)-pyridin-2-ylmethyl]-N-methylacetamide
CID 95282605
1-[(S)-(3-fluorophenyl)-pyridin-2-ylmethyl]-1-methyl-3-prop-2-enylurea
CID 95330331
3-(2-chloro-4-fluorophenoxy)-N-methyl-N-[phenyl(pyridin-2-yl)methyl]propanamide
CID 55880579
N-[(S)-(3-fluorophenyl)-pyridin-2-ylmethyl]-N-methylcyclopentanecarboxamide
CID 95307336
N-[(R)-(3-fluorophenyl)-pyridin-2-ylmethyl]-N-methylpyrazine-2-carboxamide
CID 95330210
N-[(S)-(3-fluorophenyl)-pyridin-2-ylmethyl]-N-methyl-2-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 52514636
4-(2-ethoxyphenoxy)-N-methyl-N-[phenyl(pyridin-2-yl)methyl]butanamide
CID 55767816
N-butyl-2-[[(S)-(3-fluorophenyl)-pyridin-2-ylmethyl]-methylamino]acetamide
CID 95145307
[(3-fluorophenyl)-pyridin-2-ylmethyl] 3-(4-fluorophenyl)propanoate
CID 56528264
1-(3-fluorophenyl)-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-pyridin-2-ylmethanamine
CID 75375178
(2R)-1-(4-fluorophenyl)-2-phenyl-2-pyridin-2-ylethanone
CID 129396295

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-[(S)-(3-fluorophenyl)-pyridin-2-ylmethyl]-N-methyl-4-oxobutanamide?
The IUPAC name of 4-(4-fluorophenyl)-N-[(S)-(3-fluorophenyl)-pyridin-2-ylmethyl]-N-methyl-4-oxobutanamide (CID 52524823) is 4-(4-fluorophenyl)-N-[(S)-(3-fluorophenyl)-pyridin-2-ylmethyl]-N-methyl-4-oxobutanamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N-[(S)-(3-fluorophenyl)-pyridin-2-ylmethyl]-N-methyl-4-oxobutanamide?
The canonical SMILES for 4-(4-fluorophenyl)-N-[(S)-(3-fluorophenyl)-pyridin-2-ylmethyl]-N-methyl-4-oxobutanamide is CN(C(=O)CCC(=O)c1ccc(F)cc1)[C@@H](c1cccc(F)c1)c1ccccn1.
What is the InChIKey of 4-(4-fluorophenyl)-N-[(S)-(3-fluorophenyl)-pyridin-2-ylmethyl]-N-methyl-4-oxobutanamide?
The InChIKey is ZBZCLYBNCBVMIG-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H20F2N2O2/c1-27(22(29)13-12-21(28)16-8-10-18(24)11-9-16)23(20-7-2-3-14-26-20)17-5-4-6-19(25)15-17/h2-11,14-15,23H,12-13H2,1H3/t23-/m0/s1.
What are the key properties of 4-(4-fluorophenyl)-N-[(S)-(3-fluorophenyl)-pyridin-2-ylmethyl]-N-methyl-4-oxobutanamide?
4-(4-fluorophenyl)-N-[(S)-(3-fluorophenyl)-pyridin-2-ylmethyl]-N-methyl-4-oxobutanamide has a molecular weight of 394.42 g/mol, XLogP of 4.57, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-[(S)-(3-fluorophenyl)-pyridin-2-ylmethyl]-N-methyl-4-oxobutanamide is sourced from PubChem (CID 52524823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).