N-[4-(cyclopropanecarbonylamino)-2-(trifluoromethyl)phenyl]furan-3-carboxamide

C16H13F3N2O3 — CID 30089718

IUPACN-[4-(cyclopropanecarbonylamino)-2-(trifluoromethyl)phenyl]furan-3-carboxamide
SMILESO=C(Nc1ccc(NC(=O)C2CC2)cc1C(F)(F)F)c1ccoc1
InChIInChI=1S/C16H13F3N2O3/c17-16(18,19)12-7-11(20-14(22)9-1-2-9)3-4-13(12)21-15(23)10-5-6-24-8-10/h3-9H,1-2H2,(H,20,22)(H,21,23)
InChIKeyOVKXOQGPQAYKMM-UHFFFAOYSA-N
MW338.29 g/mol
LogP3.90
Rot. Bonds4

About N-[4-(cyclopropanecarbonylamino)-2-(trifluoromethyl)phenyl]furan-3-carboxamide

N-[4-(cyclopropanecarbonylamino)-2-(trifluoromethyl)phenyl]furan-3-carboxamide (PubChem CID 30089718) has the molecular formula C16H13F3N2O3 and a molecular weight of 338.29 g/mol. Its IUPAC name is N-[4-(cyclopropanecarbonylamino)-2-(trifluoromethyl)phenyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[4-(cyclopropanecarbonylamino)-2-(trifluoromethyl)phenyl]furan-3-carboxamide
PubChem CID30089718
Molecular FormulaC16H13F3N2O3
Molecular Weight338.29 g/mol
Exact Mass338.09
IUPAC NameN-[4-(cyclopropanecarbonylamino)-2-(trifluoromethyl)phenyl]furan-3-carboxamide
SMILESO=C(Nc1ccc(NC(=O)C2CC2)cc1C(F)(F)F)c1ccoc1
InChIInChI=1S/C16H13F3N2O3/c17-16(18,19)12-7-11(20-14(22)9-1-2-9)3-4-13(12)21-15(23)10-5-6-24-8-10/h3-9H,1-2H2,(H,20,22)(H,21,23)
InChIKeyOVKXOQGPQAYKMM-UHFFFAOYSA-N
XLogP3.90
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(4-fluorobenzoyl)amino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide
CID 55782346
N-[4-(cyclopropanecarbonylamino)-2-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 17462810
N-[4-[(3-fluorobenzoyl)amino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide
CID 55782156
N-[4-(furan-3-carbonylamino)-2-(trifluoromethyl)phenyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 55782313
(3R)-6-chloro-N-[4-(furan-3-carbonylamino)-2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 51958692
4-[[3-(furan-3-carbonylamino)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120673294
N-[4-[(3-nitro-4-pyrrolidin-1-ylbenzoyl)amino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide
CID 55782409
N-[4-[2-(cyclopropylmethoxy)propanoylamino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide
CID 86847265
4-tert-butyl-N-[4-(cyclopropanecarbonylamino)-2-(trifluoromethyl)phenyl]-3-nitrobenzamide
CID 30214792
N-[4-iodo-3-(trifluoromethyl)phenyl]cyclopropanecarboxamide
CID 163584041
5-(tert-butylsulfamoyl)-N-[4-(furan-3-carbonylamino)-2-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 55782285
N-[4-(cyclopropanecarbonylamino)-2-(trifluoromethyl)phenyl]-2,3-diethylquinoxaline-6-carboxamide
CID 30214766

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclopropanecarbonylamino)-2-(trifluoromethyl)phenyl]furan-3-carboxamide?
The IUPAC name of N-[4-(cyclopropanecarbonylamino)-2-(trifluoromethyl)phenyl]furan-3-carboxamide (CID 30089718) is N-[4-(cyclopropanecarbonylamino)-2-(trifluoromethyl)phenyl]furan-3-carboxamide.
What is the SMILES notation for N-[4-(cyclopropanecarbonylamino)-2-(trifluoromethyl)phenyl]furan-3-carboxamide?
The canonical SMILES for N-[4-(cyclopropanecarbonylamino)-2-(trifluoromethyl)phenyl]furan-3-carboxamide is O=C(Nc1ccc(NC(=O)C2CC2)cc1C(F)(F)F)c1ccoc1.
What is the InChIKey of N-[4-(cyclopropanecarbonylamino)-2-(trifluoromethyl)phenyl]furan-3-carboxamide?
The InChIKey is OVKXOQGPQAYKMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2O3/c17-16(18,19)12-7-11(20-14(22)9-1-2-9)3-4-13(12)21-15(23)10-5-6-24-8-10/h3-9H,1-2H2,(H,20,22)(H,21,23).
What are the key properties of N-[4-(cyclopropanecarbonylamino)-2-(trifluoromethyl)phenyl]furan-3-carboxamide?
N-[4-(cyclopropanecarbonylamino)-2-(trifluoromethyl)phenyl]furan-3-carboxamide has a molecular weight of 338.29 g/mol, XLogP of 3.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclopropanecarbonylamino)-2-(trifluoromethyl)phenyl]furan-3-carboxamide is sourced from PubChem (CID 30089718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).