N-[4-[[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]amino]-3-(trifluoromethyl)phenyl]cyclopropanecarboxamide

C20H18F5N3O3 — CID 25344351

IUPACN-[4-[[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]amino]-3-(trifluoromethyl)phenyl]cyclopropanecarboxamide
SMILESO=C(CNc1ccc(NC(=O)C2CC2)cc1C(F)(F)F)Nc1ccccc1OC(F)F
InChIInChI=1S/C20H18F5N3O3/c21-19(22)31-16-4-2-1-3-15(16)28-17(29)10-26-14-8-7-12(9-13(14)20(23,24)25)27-18(30)11-5-6-11/h1-4,7-9,11,19,26H,5-6,10H2,(H,27,30)(H,28,29)
InChIKeyCLVDUUQTJKVGBB-UHFFFAOYSA-N
MW443.37 g/mol
LogP4.71
Rot. Bonds8

About N-[4-[[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]amino]-3-(trifluoromethyl)phenyl]cyclopropanecarboxamide

N-[4-[[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]amino]-3-(trifluoromethyl)phenyl]cyclopropanecarboxamide (PubChem CID 25344351) has the molecular formula C20H18F5N3O3 and a molecular weight of 443.37 g/mol. Its IUPAC name is N-[4-[[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]amino]-3-(trifluoromethyl)phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]amino]-3-(trifluoromethyl)phenyl]cyclopropanecarboxamide
PubChem CID25344351
Molecular FormulaC20H18F5N3O3
Molecular Weight443.37 g/mol
Exact Mass443.13
IUPAC NameN-[4-[[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]amino]-3-(trifluoromethyl)phenyl]cyclopropanecarboxamide
SMILESO=C(CNc1ccc(NC(=O)C2CC2)cc1C(F)(F)F)Nc1ccccc1OC(F)F
InChIInChI=1S/C20H18F5N3O3/c21-19(22)31-16-4-2-1-3-15(16)28-17(29)10-26-14-8-7-12(9-13(14)20(23,24)25)27-18(30)11-5-6-11/h1-4,7-9,11,19,26H,5-6,10H2,(H,27,30)(H,28,29)
InChIKeyCLVDUUQTJKVGBB-UHFFFAOYSA-N
XLogP4.71
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.37
LogP ≤ 54.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]amino]-4-methylphenyl]cyclopropanecarboxamide
CID 55897431
2-[2-(2-chlorophenoxy)anilino]-N-[2-(difluoromethoxy)phenyl]acetamide
CID 35822670
N-[2-(difluoromethoxy)phenyl]-2-(2-ethoxyanilino)acetamide
CID 9102233
N-[3-(difluoromethoxy)-4-methylphenyl]cyclopropanecarboxamide
CID 56790840
N-[2-(difluoromethoxy)phenyl]-2-(4-methoxy-2-methylanilino)acetamide
CID 51108580
2-(4-bromo-3-methylanilino)-N-[2-(difluoromethoxy)phenyl]acetamide
CID 9099494
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] cyclopropanecarboxylate
CID 2510947
2-(4-chloro-2-methoxy-5-methylanilino)-N-[2-(difluoromethoxy)phenyl]acetamide
CID 9102880
N-[4-chloro-3-(trifluoromethyl)phenyl]cyclopropanecarboxamide
CID 3121382
2-[[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]amino]-N-(4-ethylphenyl)benzamide
CID 2437754
methyl 3-[[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]amino]-2-methylbenzoate
CID 34075412
2-[(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)amino]-N-[2-(difluoromethoxy)phenyl]acetamide
CID 37223693

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]amino]-3-(trifluoromethyl)phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]amino]-3-(trifluoromethyl)phenyl]cyclopropanecarboxamide (CID 25344351) is N-[4-[[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]amino]-3-(trifluoromethyl)phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]amino]-3-(trifluoromethyl)phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]amino]-3-(trifluoromethyl)phenyl]cyclopropanecarboxamide is O=C(CNc1ccc(NC(=O)C2CC2)cc1C(F)(F)F)Nc1ccccc1OC(F)F.
What is the InChIKey of N-[4-[[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]amino]-3-(trifluoromethyl)phenyl]cyclopropanecarboxamide?
The InChIKey is CLVDUUQTJKVGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F5N3O3/c21-19(22)31-16-4-2-1-3-15(16)28-17(29)10-26-14-8-7-12(9-13(14)20(23,24)25)27-18(30)11-5-6-11/h1-4,7-9,11,19,26H,5-6,10H2,(H,27,30)(H,28,29).
What are the key properties of N-[4-[[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]amino]-3-(trifluoromethyl)phenyl]cyclopropanecarboxamide?
N-[4-[[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]amino]-3-(trifluoromethyl)phenyl]cyclopropanecarboxamide has a molecular weight of 443.37 g/mol, XLogP of 4.71, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]amino]-3-(trifluoromethyl)phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 25344351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).