3-chloro-4-fluoro-N-[5-(4-fluoroanilino)-3-methylidene-5-oxopentyl]benzamide

C19H17ClF2N2O2 — CID 166896887

IUPAC3-chloro-4-fluoro-N-[5-(4-fluoroanilino)-3-methylidene-5-oxopentyl]benzamide
SMILESC=C(CCNC(=O)c1ccc(F)c(Cl)c1)CC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C19H17ClF2N2O2/c1-12(10-18(25)24-15-5-3-14(21)4-6-15)8-9-23-19(26)13-2-7-17(22)16(20)11-13/h2-7,11H,1,8-10H2,(H,23,26)(H,24,25)
InChIKeyVYKJVJZODBJZEZ-UHFFFAOYSA-N
MW378.81 g/mol
LogP4.32
Rot. Bonds7

About 3-chloro-4-fluoro-N-[5-(4-fluoroanilino)-3-methylidene-5-oxopentyl]benzamide

3-chloro-4-fluoro-N-[5-(4-fluoroanilino)-3-methylidene-5-oxopentyl]benzamide (PubChem CID 166896887) has the molecular formula C19H17ClF2N2O2 and a molecular weight of 378.81 g/mol. Its IUPAC name is 3-chloro-4-fluoro-N-[5-(4-fluoroanilino)-3-methylidene-5-oxopentyl]benzamide.

Molecular Properties

Compound Name3-chloro-4-fluoro-N-[5-(4-fluoroanilino)-3-methylidene-5-oxopentyl]benzamide
PubChem CID166896887
Molecular FormulaC19H17ClF2N2O2
Molecular Weight378.81 g/mol
Exact Mass378.09
IUPAC Name3-chloro-4-fluoro-N-[5-(4-fluoroanilino)-3-methylidene-5-oxopentyl]benzamide
SMILESC=C(CCNC(=O)c1ccc(F)c(Cl)c1)CC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C19H17ClF2N2O2/c1-12(10-18(25)24-15-5-3-14(21)4-6-15)8-9-23-19(26)13-2-7-17(22)16(20)11-13/h2-7,11H,1,8-10H2,(H,23,26)(H,24,25)
InChIKeyVYKJVJZODBJZEZ-UHFFFAOYSA-N
XLogP4.32
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.81
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-N-[5-(4-fluoroanilino)-3-methylidene-5-oxopentyl]pyridine-3-carboxamide
CID 166896854
5-amino-N-(4-fluorophenyl)-3-methylidenepentanamide
CID 153370434
3,4-difluoro-N-[(4R)-5-(4-fluoroanilino)-4-methyl-3-methylidene-5-oxopentyl]benzamide
CID 166896733
N-[3-(3-chloro-4-fluoroanilino)-3-oxopropyl]-3-methoxybenzamide
CID 17226122
2-[(3-chloro-4-fluorophenyl)carbamoylamino]-N-(4-fluorophenyl)acetamide
CID 42766016
4-chloro-N-[3-[2-(4-fluorobenzoyl)hydrazinyl]-3-oxopropyl]benzamide
CID 4795367
4-(4-chlorophenyl)-N-(4-fluorophenyl)-4-oxobutanamide
CID 42029067
N-[3-(4-bromoanilino)-3-oxopropyl]-4-chlorobenzamide
CID 7946251
3-chloro-4-fluoro-N-(3-methoxypropyl)benzamide
CID 110764723
2-[(3-chloro-4-fluorobenzoyl)amino]acetic acid
CID 80502677
4-chloro-N-[3-(4-methylsulfanylanilino)-3-oxopropyl]benzamide
CID 9153985
N-[4-(4-amino-3,5-dichloroanilino)-4-oxobutyl]-4-fluorobenzamide
CID 60572410

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-fluoro-N-[5-(4-fluoroanilino)-3-methylidene-5-oxopentyl]benzamide?
The IUPAC name of 3-chloro-4-fluoro-N-[5-(4-fluoroanilino)-3-methylidene-5-oxopentyl]benzamide (CID 166896887) is 3-chloro-4-fluoro-N-[5-(4-fluoroanilino)-3-methylidene-5-oxopentyl]benzamide.
What is the SMILES notation for 3-chloro-4-fluoro-N-[5-(4-fluoroanilino)-3-methylidene-5-oxopentyl]benzamide?
The canonical SMILES for 3-chloro-4-fluoro-N-[5-(4-fluoroanilino)-3-methylidene-5-oxopentyl]benzamide is C=C(CCNC(=O)c1ccc(F)c(Cl)c1)CC(=O)Nc1ccc(F)cc1.
What is the InChIKey of 3-chloro-4-fluoro-N-[5-(4-fluoroanilino)-3-methylidene-5-oxopentyl]benzamide?
The InChIKey is VYKJVJZODBJZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClF2N2O2/c1-12(10-18(25)24-15-5-3-14(21)4-6-15)8-9-23-19(26)13-2-7-17(22)16(20)11-13/h2-7,11H,1,8-10H2,(H,23,26)(H,24,25).
What are the key properties of 3-chloro-4-fluoro-N-[5-(4-fluoroanilino)-3-methylidene-5-oxopentyl]benzamide?
3-chloro-4-fluoro-N-[5-(4-fluoroanilino)-3-methylidene-5-oxopentyl]benzamide has a molecular weight of 378.81 g/mol, XLogP of 4.32, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-fluoro-N-[5-(4-fluoroanilino)-3-methylidene-5-oxopentyl]benzamide is sourced from PubChem (CID 166896887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).