N-[2-[4-fluoro-3-(prop-2-enoylamino)anilino]-2-oxoethyl]-3-hydroxybenzamide

C18H16FN3O4 — CID 166405352

IUPACN-[2-[4-fluoro-3-(prop-2-enoylamino)anilino]-2-oxoethyl]-3-hydroxybenzamide
SMILESC=CC(=O)Nc1cc(NC(=O)CNC(=O)c2cccc(O)c2)ccc1F
InChIInChI=1S/C18H16FN3O4/c1-2-16(24)22-15-9-12(6-7-14(15)19)21-17(25)10-20-18(26)11-4-3-5-13(23)8-11/h2-9,23H,1,10H2,(H,20,26)(H,21,25)(H,22,24)
InChIKeySVYLYYYAIGUMAB-UHFFFAOYSA-N
MW357.34 g/mol
LogP2.02
Rot. Bonds6

About N-[2-[4-fluoro-3-(prop-2-enoylamino)anilino]-2-oxoethyl]-3-hydroxybenzamide

N-[2-[4-fluoro-3-(prop-2-enoylamino)anilino]-2-oxoethyl]-3-hydroxybenzamide (PubChem CID 166405352) has the molecular formula C18H16FN3O4 and a molecular weight of 357.34 g/mol. Its IUPAC name is N-[2-[4-fluoro-3-(prop-2-enoylamino)anilino]-2-oxoethyl]-3-hydroxybenzamide.

Molecular Properties

Compound NameN-[2-[4-fluoro-3-(prop-2-enoylamino)anilino]-2-oxoethyl]-3-hydroxybenzamide
PubChem CID166405352
Molecular FormulaC18H16FN3O4
Molecular Weight357.34 g/mol
Exact Mass357.11
IUPAC NameN-[2-[4-fluoro-3-(prop-2-enoylamino)anilino]-2-oxoethyl]-3-hydroxybenzamide
SMILESC=CC(=O)Nc1cc(NC(=O)CNC(=O)c2cccc(O)c2)ccc1F
InChIInChI=1S/C18H16FN3O4/c1-2-16(24)22-15-9-12(6-7-14(15)19)21-17(25)10-20-18(26)11-4-3-5-13(23)8-11/h2-9,23H,1,10H2,(H,20,26)(H,21,25)(H,22,24)
InChIKeySVYLYYYAIGUMAB-UHFFFAOYSA-N
XLogP2.02
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.34
LogP ≤ 52.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-fluoro-3-(prop-2-enoylamino)phenyl]-3-(methylcarbamoylamino)propanamide
CID 166403610
3-cyano-N-[2-(3,4-difluoroanilino)-2-oxoethyl]benzamide
CID 7930152
N-[5-[[2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetyl]amino]-2-fluorophenyl]prop-2-enamide
CID 166404923
N-[5-[[2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetyl]amino]-2-fluorophenyl]prop-2-enamide
CID 166404909
N-[5-[[2-(2-ethyl-4,6-dimethylpyrimidin-5-yl)acetyl]amino]-2-fluorophenyl]prop-2-enamide
CID 166407606
N-[4-fluoro-3-(prop-2-enoylamino)phenyl]-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide
CID 166404959
4-bromo-N-[2-(3,4-difluoroanilino)-2-oxoethyl]benzamide
CID 7930162
N-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-3,4-dimethylbenzamide
CID 9216095
N-[4-fluoro-3-(prop-2-enoylamino)phenyl]-1-methylindole-4-carboxamide
CID 166405453
3-chloro-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide
CID 2113466
N-[2-(4-fluoroanilino)-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 42765964
N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 110305572

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-fluoro-3-(prop-2-enoylamino)anilino]-2-oxoethyl]-3-hydroxybenzamide?
The IUPAC name of N-[2-[4-fluoro-3-(prop-2-enoylamino)anilino]-2-oxoethyl]-3-hydroxybenzamide (CID 166405352) is N-[2-[4-fluoro-3-(prop-2-enoylamino)anilino]-2-oxoethyl]-3-hydroxybenzamide.
What is the SMILES notation for N-[2-[4-fluoro-3-(prop-2-enoylamino)anilino]-2-oxoethyl]-3-hydroxybenzamide?
The canonical SMILES for N-[2-[4-fluoro-3-(prop-2-enoylamino)anilino]-2-oxoethyl]-3-hydroxybenzamide is C=CC(=O)Nc1cc(NC(=O)CNC(=O)c2cccc(O)c2)ccc1F.
What is the InChIKey of N-[2-[4-fluoro-3-(prop-2-enoylamino)anilino]-2-oxoethyl]-3-hydroxybenzamide?
The InChIKey is SVYLYYYAIGUMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O4/c1-2-16(24)22-15-9-12(6-7-14(15)19)21-17(25)10-20-18(26)11-4-3-5-13(23)8-11/h2-9,23H,1,10H2,(H,20,26)(H,21,25)(H,22,24).
What are the key properties of N-[2-[4-fluoro-3-(prop-2-enoylamino)anilino]-2-oxoethyl]-3-hydroxybenzamide?
N-[2-[4-fluoro-3-(prop-2-enoylamino)anilino]-2-oxoethyl]-3-hydroxybenzamide has a molecular weight of 357.34 g/mol, XLogP of 2.02, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-fluoro-3-(prop-2-enoylamino)anilino]-2-oxoethyl]-3-hydroxybenzamide is sourced from PubChem (CID 166405352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).