N-cyclopropyl-4-[(E)-3-(2,5-difluoroanilino)-3-oxoprop-1-enyl]benzamide

C19H16F2N2O2 — CID 35504273

IUPACN-cyclopropyl-4-[(E)-3-(2,5-difluoroanilino)-3-oxoprop-1-enyl]benzamide
SMILESO=C(/C=C/c1ccc(C(=O)NC2CC2)cc1)Nc1cc(F)ccc1F
InChIInChI=1S/C19H16F2N2O2/c20-14-6-9-16(21)17(11-14)23-18(24)10-3-12-1-4-13(5-2-12)19(25)22-15-7-8-15/h1-6,9-11,15H,7-8H2,(H,22,25)(H,23,24)/b10-3+
InChIKeyQCVXUWNKHCXLSF-XCVCLJGOSA-N
MW342.35 g/mol
LogP3.51
Rot. Bonds5

About N-cyclopropyl-4-[(E)-3-(2,5-difluoroanilino)-3-oxoprop-1-enyl]benzamide

N-cyclopropyl-4-[(E)-3-(2,5-difluoroanilino)-3-oxoprop-1-enyl]benzamide (PubChem CID 35504273) has the molecular formula C19H16F2N2O2 and a molecular weight of 342.35 g/mol. Its IUPAC name is N-cyclopropyl-4-[(E)-3-(2,5-difluoroanilino)-3-oxoprop-1-enyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[(E)-3-(2,5-difluoroanilino)-3-oxoprop-1-enyl]benzamide
PubChem CID35504273
Molecular FormulaC19H16F2N2O2
Molecular Weight342.35 g/mol
Exact Mass342.12
IUPAC NameN-cyclopropyl-4-[(E)-3-(2,5-difluoroanilino)-3-oxoprop-1-enyl]benzamide
SMILESO=C(/C=C/c1ccc(C(=O)NC2CC2)cc1)Nc1cc(F)ccc1F
InChIInChI=1S/C19H16F2N2O2/c20-14-6-9-16(21)17(11-14)23-18(24)10-3-12-1-4-13(5-2-12)19(25)22-15-7-8-15/h1-6,9-11,15H,7-8H2,(H,22,25)(H,23,24)/b10-3+
InChIKeyQCVXUWNKHCXLSF-XCVCLJGOSA-N
XLogP3.51
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-[(E)-3-(4-acetylanilino)-3-oxoprop-1-enyl]-N-cyclopropylbenzamide
CID 46568917
N-cyclopropyl-4-[(E)-3-oxo-3-[2-(trifluoromethoxy)anilino]prop-1-enyl]benzamide
CID 35750831
N-cyclopropyl-4-[(E)-3-(4-methylsulfanylanilino)-3-oxoprop-1-enyl]benzamide
CID 35736991
(E)-N-(2,5-difluorophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 7770255
N-cyclopropyl-4-[(E)-3-oxo-3-(4-phenylanilino)prop-1-enyl]benzamide
CID 55573881
N-cyclopropyl-4-[(E)-3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxoprop-1-enyl]benzamide
CID 35557202
N-cyclopropyl-4-[(E)-3-(2,5-dimethoxyanilino)-3-oxoprop-1-enyl]benzamide
CID 46568895
4-[(E)-3-(cycloheptylamino)-3-oxoprop-1-enyl]-N-cyclopropylbenzamide
CID 35559791
N-cyclopropyl-4-[(E)-3-oxo-3-(pyridin-3-ylamino)prop-1-enyl]benzamide
CID 35556282
4-chloro-3-[3-[4-(cyclopropylcarbamoyl)phenyl]prop-2-enoylamino]-N-propan-2-ylbenzamide
CID 75895715
4-[3-(3-cyclopentyloxyanilino)-3-oxoprop-1-enyl]-N-cyclopropylbenzamide
CID 55564049
N-cyclopropyl-4-[(E)-3-oxo-3-(2-piperidin-1-ylanilino)prop-1-enyl]benzamide
CID 46604384

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[(E)-3-(2,5-difluoroanilino)-3-oxoprop-1-enyl]benzamide?
The IUPAC name of N-cyclopropyl-4-[(E)-3-(2,5-difluoroanilino)-3-oxoprop-1-enyl]benzamide (CID 35504273) is N-cyclopropyl-4-[(E)-3-(2,5-difluoroanilino)-3-oxoprop-1-enyl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[(E)-3-(2,5-difluoroanilino)-3-oxoprop-1-enyl]benzamide?
The canonical SMILES for N-cyclopropyl-4-[(E)-3-(2,5-difluoroanilino)-3-oxoprop-1-enyl]benzamide is O=C(/C=C/c1ccc(C(=O)NC2CC2)cc1)Nc1cc(F)ccc1F.
What is the InChIKey of N-cyclopropyl-4-[(E)-3-(2,5-difluoroanilino)-3-oxoprop-1-enyl]benzamide?
The InChIKey is QCVXUWNKHCXLSF-XCVCLJGOSA-N. The full InChI is InChI=1S/C19H16F2N2O2/c20-14-6-9-16(21)17(11-14)23-18(24)10-3-12-1-4-13(5-2-12)19(25)22-15-7-8-15/h1-6,9-11,15H,7-8H2,(H,22,25)(H,23,24)/b10-3+.
What are the key properties of N-cyclopropyl-4-[(E)-3-(2,5-difluoroanilino)-3-oxoprop-1-enyl]benzamide?
N-cyclopropyl-4-[(E)-3-(2,5-difluoroanilino)-3-oxoprop-1-enyl]benzamide has a molecular weight of 342.35 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[(E)-3-(2,5-difluoroanilino)-3-oxoprop-1-enyl]benzamide is sourced from PubChem (CID 35504273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).