N-[[4-[2-(1,1-difluoroethyl)anilino]phenyl]methyl]-1-[2-(5-methyl-1,3,4-oxadiazol-2-yl)-2-oxoethyl]cyclopropane-1-carboxamide;methane

C25H28F2N4O3 — CID 161011806

IUPACN-[[4-[2-(1,1-difluoroethyl)anilino]phenyl]methyl]-1-[2-(5-methyl-1,3,4-oxadiazol-2-yl)-2-oxoethyl]cyclopropane-1-carboxamide;methane
SMILESC.Cc1nnc(C(=O)CC2(C(=O)NCc3ccc(Nc4ccccc4C(C)(F)F)cc3)CC2)o1
InChIInChI=1S/C24H24F2N4O3.CH4/c1-15-29-30-21(33-15)20(31)13-24(11-12-24)22(32)27-14-16-7-9-17(10-8-16)28-19-6-4-3-5-18(19)23(2,25)26;/h3-10,28H,11-14H2,1-2H3,(H,27,32);1H4
InChIKeyTXFHRELQZFJQQA-UHFFFAOYSA-N
MW470.52 g/mol
LogP5.54
Rot. Bonds9

About N-[[4-[2-(1,1-difluoroethyl)anilino]phenyl]methyl]-1-[2-(5-methyl-1,3,4-oxadiazol-2-yl)-2-oxoethyl]cyclopropane-1-carboxamide;methane

N-[[4-[2-(1,1-difluoroethyl)anilino]phenyl]methyl]-1-[2-(5-methyl-1,3,4-oxadiazol-2-yl)-2-oxoethyl]cyclopropane-1-carboxamide;methane (PubChem CID 161011806) has the molecular formula C25H28F2N4O3 and a molecular weight of 470.52 g/mol. Its IUPAC name is N-[[4-[2-(1,1-difluoroethyl)anilino]phenyl]methyl]-1-[2-(5-methyl-1,3,4-oxadiazol-2-yl)-2-oxoethyl]cyclopropane-1-carboxamide;methane.

Molecular Properties

Compound NameN-[[4-[2-(1,1-difluoroethyl)anilino]phenyl]methyl]-1-[2-(5-methyl-1,3,4-oxadiazol-2-yl)-2-oxoethyl]cyclopropane-1-carboxamide;methane
PubChem CID161011806
Molecular FormulaC25H28F2N4O3
Molecular Weight470.52 g/mol
Exact Mass470.21
IUPAC NameN-[[4-[2-(1,1-difluoroethyl)anilino]phenyl]methyl]-1-[2-(5-methyl-1,3,4-oxadiazol-2-yl)-2-oxoethyl]cyclopropane-1-carboxamide;methane
SMILESC.Cc1nnc(C(=O)CC2(C(=O)NCc3ccc(Nc4ccccc4C(C)(F)F)cc3)CC2)o1
InChIInChI=1S/C24H24F2N4O3.CH4/c1-15-29-30-21(33-15)20(31)13-24(11-12-24)22(32)27-14-16-7-9-17(10-8-16)28-19-6-4-3-5-18(19)23(2,25)26;/h3-10,28H,11-14H2,1-2H3,(H,27,32);1H4
InChIKeyTXFHRELQZFJQQA-UHFFFAOYSA-N
XLogP5.54
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.52
LogP ≤ 55.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[4-[2-(1,1-difluoroethyl)anilino]phenyl]methyl]-1-[2-(1-methylimidazol-2-yl)-2-oxoethyl]cyclopropane-1-carboxamide
CID 159621061
N-[[4-[2-(1,1-difluoroethyl)anilino]phenyl]methyl]-1-[2-(2,4-dioxo-1H-pyrimidin-5-yl)-2-oxoethyl]cyclopropane-1-carboxamide;methane
CID 160911892
(3S)-N-[[4-[2-(1,1-difluoroethyl)anilino]phenyl]methyl]-3-(2-oxo-3-pyridin-3-ylpropyl)oxolane-3-carboxamide
CID 159915347
1-[5-(dimethylamino)-2-oxopentyl]-N-[[4-[2-(trifluoromethyl)anilino]phenyl]methyl]cyclopropane-1-carboxamide
CID 159840108
(3S)-3-amino-N-[[4-[2-(trifluoromethyl)anilino]phenyl]methyl]oxolane-3-carboxamide
CID 66617106
3-amino-N-[[4-[2-(trifluoromethyl)anilino]phenyl]methyl]oxetane-3-carboxamide
CID 59496251
(3S)-N-[[4-[2-(1,1-difluoroethyl)anilino]phenyl]methyl]-3-[2-oxo-2-(3-oxocyclohexyl)ethyl]oxolane-3-carboxamide
CID 147692093
3-[4-(2-methylpyrimidin-5-yl)-4-oxobutyl]-N-[[4-[2-(trifluoromethyl)anilino]phenyl]methyl]oxolane-3-carboxamide
CID 91114682
(3S)-3-[2-(furan-3-yl)-2-oxoethyl]-N-[[4-[2-(trifluoromethyl)anilino]phenyl]methyl]oxolane-3-carboxamide
CID 158445349
3-[4-(1,3-oxazol-5-yl)-4-oxobutyl]-N-[[4-[2-(trifluoromethyl)anilino]phenyl]methyl]oxolane-3-carboxamide
CID 91586829
3-[4-[2-(methylamino)pyrimidin-5-yl]-4-oxobutyl]-N-[[4-[2-(trifluoromethyl)anilino]phenyl]methyl]oxolane-3-carboxamide
CID 91538661
1-[2-(2-amino-1,3-oxazol-5-yl)-2-oxoethyl]-N-[[5-[4-methyl-2-(trifluoromethyl)anilino]-2-pyridinyl]methyl]cyclopropane-1-carboxamide
CID 158945669

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(1,1-difluoroethyl)anilino]phenyl]methyl]-1-[2-(5-methyl-1,3,4-oxadiazol-2-yl)-2-oxoethyl]cyclopropane-1-carboxamide;methane?
The IUPAC name of N-[[4-[2-(1,1-difluoroethyl)anilino]phenyl]methyl]-1-[2-(5-methyl-1,3,4-oxadiazol-2-yl)-2-oxoethyl]cyclopropane-1-carboxamide;methane (CID 161011806) is N-[[4-[2-(1,1-difluoroethyl)anilino]phenyl]methyl]-1-[2-(5-methyl-1,3,4-oxadiazol-2-yl)-2-oxoethyl]cyclopropane-1-carboxamide;methane.
What is the SMILES notation for N-[[4-[2-(1,1-difluoroethyl)anilino]phenyl]methyl]-1-[2-(5-methyl-1,3,4-oxadiazol-2-yl)-2-oxoethyl]cyclopropane-1-carboxamide;methane?
The canonical SMILES for N-[[4-[2-(1,1-difluoroethyl)anilino]phenyl]methyl]-1-[2-(5-methyl-1,3,4-oxadiazol-2-yl)-2-oxoethyl]cyclopropane-1-carboxamide;methane is C.Cc1nnc(C(=O)CC2(C(=O)NCc3ccc(Nc4ccccc4C(C)(F)F)cc3)CC2)o1.
What is the InChIKey of N-[[4-[2-(1,1-difluoroethyl)anilino]phenyl]methyl]-1-[2-(5-methyl-1,3,4-oxadiazol-2-yl)-2-oxoethyl]cyclopropane-1-carboxamide;methane?
The InChIKey is TXFHRELQZFJQQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N4O3.CH4/c1-15-29-30-21(33-15)20(31)13-24(11-12-24)22(32)27-14-16-7-9-17(10-8-16)28-19-6-4-3-5-18(19)23(2,25)26;/h3-10,28H,11-14H2,1-2H3,(H,27,32);1H4.
What are the key properties of N-[[4-[2-(1,1-difluoroethyl)anilino]phenyl]methyl]-1-[2-(5-methyl-1,3,4-oxadiazol-2-yl)-2-oxoethyl]cyclopropane-1-carboxamide;methane?
N-[[4-[2-(1,1-difluoroethyl)anilino]phenyl]methyl]-1-[2-(5-methyl-1,3,4-oxadiazol-2-yl)-2-oxoethyl]cyclopropane-1-carboxamide;methane has a molecular weight of 470.52 g/mol, XLogP of 5.54, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(1,1-difluoroethyl)anilino]phenyl]methyl]-1-[2-(5-methyl-1,3,4-oxadiazol-2-yl)-2-oxoethyl]cyclopropane-1-carboxamide;methane is sourced from PubChem (CID 161011806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).