N-[4-[3-chloro-4-[3-(2-methoxy-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-methylpropanamide

C25H24ClFN2O3 — CID 167598268

IUPACN-[4-[3-chloro-4-[3-(2-methoxy-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-methylpropanamide
SMILESCCC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3cccnc3OC)c(Cl)c2)cc1F
InChIInChI=1S/C25H24ClFN2O3/c1-4-24(31)29(2)22-11-8-18(15-21(22)27)17-7-10-19(20(26)14-17)23(30)12-9-16-6-5-13-28-25(16)32-3/h5-8,10-11,13-15H,4,9,12H2,1-3H3
InChIKeyWDFMLIBIEQVVNV-UHFFFAOYSA-N
MW454.93 g/mol
LogP5.74
Rot. Bonds8

About N-[4-[3-chloro-4-[3-(2-methoxy-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-methylpropanamide

N-[4-[3-chloro-4-[3-(2-methoxy-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-methylpropanamide (PubChem CID 167598268) has the molecular formula C25H24ClFN2O3 and a molecular weight of 454.93 g/mol. Its IUPAC name is N-[4-[3-chloro-4-[3-(2-methoxy-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-methylpropanamide.

Molecular Properties

Compound NameN-[4-[3-chloro-4-[3-(2-methoxy-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-methylpropanamide
PubChem CID167598268
Molecular FormulaC25H24ClFN2O3
Molecular Weight454.93 g/mol
Exact Mass454.15
IUPAC NameN-[4-[3-chloro-4-[3-(2-methoxy-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-methylpropanamide
SMILESCCC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3cccnc3OC)c(Cl)c2)cc1F
InChIInChI=1S/C25H24ClFN2O3/c1-4-24(31)29(2)22-11-8-18(15-21(22)27)17-7-10-19(20(26)14-17)23(30)12-9-16-6-5-13-28-25(16)32-3/h5-8,10-11,13-15H,4,9,12H2,1-3H3
InChIKeyWDFMLIBIEQVVNV-UHFFFAOYSA-N
XLogP5.74
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.93
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-chloro-4-pyridinyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]benzamide
CID 87481281
2,3-Dichloro-N-[4,4-difluoro-1-(6-methoxy-pyridin-3-yl)-cyclohexylmethyl]-benzamide
CID 86716277
8-Chloro-2-propyl-6-[4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]phenyl]isoquinolin-1-one
CID 46917791
8-Chloro-6-(6-phenoxy-3-pyridinyl)-2-propylisoquinolin-1-one
CID 53320175
8-Chloro-6-(5-fluoro-6-methoxy-3-pyridinyl)-2-propylisoquinolin-1-one
CID 53320818
8-Chloro-2-propyl-6-(4-pyridin-4-yloxyphenyl)isoquinolin-1-one
CID 53321493
8-Chloro-6-(6-methoxy-3-pyridinyl)-2-propylisoquinolin-1-one
CID 53322149
8-Chloro-6-[6-(2-phenylethoxy)-3-pyridinyl]-2-propylisoquinolin-1-one
CID 53325450
8-Chloro-6-[4-[(6-chloro-3-pyridinyl)methoxy]phenyl]-2-propylisoquinolin-1-one
CID 53325452
N-[4-[[2-(5-chloro-2-methoxyphenyl)cyclopropyl]methyl-propylamino]butyl]-4-pyridin-2-ylbenzamide;hydrochloride
CID 155525357
4-chloro-N-[(1R)-1-[4-[3-(difluoromethyl)-2-methoxy-4-pyridinyl]cyclohexyl]propyl]benzamide
CID 164609257
4-chloro-N-[(1R)-1-[4-(3-fluoro-2-methoxy-4-pyridinyl)cyclohexyl]propyl]benzamide
CID 164618143

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-chloro-4-[3-(2-methoxy-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-methylpropanamide?
The IUPAC name of N-[4-[3-chloro-4-[3-(2-methoxy-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-methylpropanamide (CID 167598268) is N-[4-[3-chloro-4-[3-(2-methoxy-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-methylpropanamide.
What is the SMILES notation for N-[4-[3-chloro-4-[3-(2-methoxy-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-methylpropanamide?
The canonical SMILES for N-[4-[3-chloro-4-[3-(2-methoxy-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-methylpropanamide is CCC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3cccnc3OC)c(Cl)c2)cc1F.
What is the InChIKey of N-[4-[3-chloro-4-[3-(2-methoxy-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-methylpropanamide?
The InChIKey is WDFMLIBIEQVVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClFN2O3/c1-4-24(31)29(2)22-11-8-18(15-21(22)27)17-7-10-19(20(26)14-17)23(30)12-9-16-6-5-13-28-25(16)32-3/h5-8,10-11,13-15H,4,9,12H2,1-3H3.
What are the key properties of N-[4-[3-chloro-4-[3-(2-methoxy-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-methylpropanamide?
N-[4-[3-chloro-4-[3-(2-methoxy-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-methylpropanamide has a molecular weight of 454.93 g/mol, XLogP of 5.74, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-chloro-4-[3-(2-methoxy-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-methylpropanamide is sourced from PubChem (CID 167598268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).