N-[4-(4-chlorophenyl)-3-(5-fluoro-3-pyridinyl)butan-2-yl]-2-methyl-2-[6-(trifluoromethyl)pyrimidin-4-yl]oxypropanamide

C24H23ClF4N4O2 — CID 22270355

IUPACN-[4-(4-chlorophenyl)-3-(5-fluoro-3-pyridinyl)butan-2-yl]-2-methyl-2-[6-(trifluoromethyl)pyrimidin-4-yl]oxypropanamide
SMILESCC(NC(=O)C(C)(C)Oc1cc(C(F)(F)F)ncn1)C(Cc1ccc(Cl)cc1)c1cncc(F)c1
InChIInChI=1S/C24H23ClF4N4O2/c1-14(19(16-9-18(26)12-30-11-16)8-15-4-6-17(25)7-5-15)33-22(34)23(2,3)35-21-10-20(24(27,28)29)31-13-32-21/h4-7,9-14,19H,8H2,1-3H3,(H,33,34)
InChIKeyCNVFYSZLLZPBRF-UHFFFAOYSA-N
MW510.92 g/mol
LogP5.37
Rot. Bonds8

About N-[4-(4-chlorophenyl)-3-(5-fluoro-3-pyridinyl)butan-2-yl]-2-methyl-2-[6-(trifluoromethyl)pyrimidin-4-yl]oxypropanamide

N-[4-(4-chlorophenyl)-3-(5-fluoro-3-pyridinyl)butan-2-yl]-2-methyl-2-[6-(trifluoromethyl)pyrimidin-4-yl]oxypropanamide (PubChem CID 22270355) has the molecular formula C24H23ClF4N4O2 and a molecular weight of 510.92 g/mol. Its IUPAC name is N-[4-(4-chlorophenyl)-3-(5-fluoro-3-pyridinyl)butan-2-yl]-2-methyl-2-[6-(trifluoromethyl)pyrimidin-4-yl]oxypropanamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenyl)-3-(5-fluoro-3-pyridinyl)butan-2-yl]-2-methyl-2-[6-(trifluoromethyl)pyrimidin-4-yl]oxypropanamide
PubChem CID22270355
Molecular FormulaC24H23ClF4N4O2
Molecular Weight510.92 g/mol
Exact Mass510.14
IUPAC NameN-[4-(4-chlorophenyl)-3-(5-fluoro-3-pyridinyl)butan-2-yl]-2-methyl-2-[6-(trifluoromethyl)pyrimidin-4-yl]oxypropanamide
SMILESCC(NC(=O)C(C)(C)Oc1cc(C(F)(F)F)ncn1)C(Cc1ccc(Cl)cc1)c1cncc(F)c1
InChIInChI=1S/C24H23ClF4N4O2/c1-14(19(16-9-18(26)12-30-11-16)8-15-4-6-17(25)7-5-15)33-22(34)23(2,3)35-21-10-20(24(27,28)29)31-13-32-21/h4-7,9-14,19H,8H2,1-3H3,(H,33,34)
InChIKeyCNVFYSZLLZPBRF-UHFFFAOYSA-N
XLogP5.37
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.92
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-chlorophenyl)-3-(3-ethenylphenyl)butan-2-yl]-2-methyl-2-[6-(trifluoromethyl)pyrimidin-4-yl]oxypropanamide
CID 142807522
N-[4-(4-chlorophenyl)-3-(6-ethylcyclohepta-1,3,4,6-tetraen-1-yl)butan-2-yl]-2-methyl-2-[6-(trifluoromethyl)pyrimidin-4-yl]oxypropanamide
CID 142807467
N-[3-(5-bromo-3-pyridinyl)-4-(4-fluorophenyl)butan-2-yl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
CID 22270466
3-[(3S)-1-(4-chlorophenyl)-3-[[2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanoyl]amino]butan-2-yl]benzamide
CID 163924092
N-[(2S,3S)-4-(4-chlorophenyl)-3-phenylbutan-2-yl]-2-(5-chloropyrimidin-2-yl)oxy-2-methylpropanamide
CID 23404721
N-[4-(4-chlorophenyl)-3-(3-methylphenyl)butan-2-yl]-2-methyl-2-pyridin-2-yloxypropanamide;ethane
CID 142807512
2-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]-N-[3-(3-fluoro-5-methylphenyl)-4-(4-methylphenyl)butan-2-yl]-2-methylpropanamide
CID 142807561
N-[3-[3-(2-amino-2-oxoethoxy)phenyl]-4-(4-chlorophenyl)butan-2-yl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
CID 59846824
6-[1-[[3-(3-chlorophenyl)-4-(4-chlorophenyl)butan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]oxypyridine-3-carboxamide
CID 59846819
N-[(2S,3S)-4-(4-chlorophenyl)-3-phenylbutan-2-yl]-2-(3,5-dichlorophenoxy)-2-methylpropanamide
CID 23404712
N-[4-(4-chlorophenyl)-3-(3-cyanophenyl)butan-2-yl]-2-[[5-[difluoro(phosphanyl)methyl]-2-pyridinyl]oxy]-2-methylpropanamide
CID 142807556
N-[4-(4-chlorophenyl)-3-(3-cyanophenyl)butan-2-yl]-2-methyl-2-pyridin-2-yloxypropanamide;ethane
CID 91332393

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenyl)-3-(5-fluoro-3-pyridinyl)butan-2-yl]-2-methyl-2-[6-(trifluoromethyl)pyrimidin-4-yl]oxypropanamide?
The IUPAC name of N-[4-(4-chlorophenyl)-3-(5-fluoro-3-pyridinyl)butan-2-yl]-2-methyl-2-[6-(trifluoromethyl)pyrimidin-4-yl]oxypropanamide (CID 22270355) is N-[4-(4-chlorophenyl)-3-(5-fluoro-3-pyridinyl)butan-2-yl]-2-methyl-2-[6-(trifluoromethyl)pyrimidin-4-yl]oxypropanamide.
What is the SMILES notation for N-[4-(4-chlorophenyl)-3-(5-fluoro-3-pyridinyl)butan-2-yl]-2-methyl-2-[6-(trifluoromethyl)pyrimidin-4-yl]oxypropanamide?
The canonical SMILES for N-[4-(4-chlorophenyl)-3-(5-fluoro-3-pyridinyl)butan-2-yl]-2-methyl-2-[6-(trifluoromethyl)pyrimidin-4-yl]oxypropanamide is CC(NC(=O)C(C)(C)Oc1cc(C(F)(F)F)ncn1)C(Cc1ccc(Cl)cc1)c1cncc(F)c1.
What is the InChIKey of N-[4-(4-chlorophenyl)-3-(5-fluoro-3-pyridinyl)butan-2-yl]-2-methyl-2-[6-(trifluoromethyl)pyrimidin-4-yl]oxypropanamide?
The InChIKey is CNVFYSZLLZPBRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClF4N4O2/c1-14(19(16-9-18(26)12-30-11-16)8-15-4-6-17(25)7-5-15)33-22(34)23(2,3)35-21-10-20(24(27,28)29)31-13-32-21/h4-7,9-14,19H,8H2,1-3H3,(H,33,34).
What are the key properties of N-[4-(4-chlorophenyl)-3-(5-fluoro-3-pyridinyl)butan-2-yl]-2-methyl-2-[6-(trifluoromethyl)pyrimidin-4-yl]oxypropanamide?
N-[4-(4-chlorophenyl)-3-(5-fluoro-3-pyridinyl)butan-2-yl]-2-methyl-2-[6-(trifluoromethyl)pyrimidin-4-yl]oxypropanamide has a molecular weight of 510.92 g/mol, XLogP of 5.37, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenyl)-3-(5-fluoro-3-pyridinyl)butan-2-yl]-2-methyl-2-[6-(trifluoromethyl)pyrimidin-4-yl]oxypropanamide is sourced from PubChem (CID 22270355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).