N-[4-[2-(2-fluoroanilino)-2-oxoethyl]phenyl]-4-(prop-2-enoylamino)benzamide

C24H20FN3O3 — CID 154803721

IUPACN-[4-[2-(2-fluoroanilino)-2-oxoethyl]phenyl]-4-(prop-2-enoylamino)benzamide
SMILESC=CC(=O)Nc1ccc(C(=O)Nc2ccc(CC(=O)Nc3ccccc3F)cc2)cc1
InChIInChI=1S/C24H20FN3O3/c1-2-22(29)26-18-13-9-17(10-14-18)24(31)27-19-11-7-16(8-12-19)15-23(30)28-21-6-4-3-5-20(21)25/h2-14H,1,15H2,(H,26,29)(H,27,31)(H,28,30)
InChIKeyHLWKNTWEBQJLEG-UHFFFAOYSA-N
MW417.44 g/mol
LogP4.38
Rot. Bonds7

About N-[4-[2-(2-fluoroanilino)-2-oxoethyl]phenyl]-4-(prop-2-enoylamino)benzamide

N-[4-[2-(2-fluoroanilino)-2-oxoethyl]phenyl]-4-(prop-2-enoylamino)benzamide (PubChem CID 154803721) has the molecular formula C24H20FN3O3 and a molecular weight of 417.44 g/mol. Its IUPAC name is N-[4-[2-(2-fluoroanilino)-2-oxoethyl]phenyl]-4-(prop-2-enoylamino)benzamide.

Molecular Properties

Compound NameN-[4-[2-(2-fluoroanilino)-2-oxoethyl]phenyl]-4-(prop-2-enoylamino)benzamide
PubChem CID154803721
Molecular FormulaC24H20FN3O3
Molecular Weight417.44 g/mol
Exact Mass417.15
IUPAC NameN-[4-[2-(2-fluoroanilino)-2-oxoethyl]phenyl]-4-(prop-2-enoylamino)benzamide
SMILESC=CC(=O)Nc1ccc(C(=O)Nc2ccc(CC(=O)Nc3ccccc3F)cc2)cc1
InChIInChI=1S/C24H20FN3O3/c1-2-22(29)26-18-13-9-17(10-14-18)24(31)27-19-11-7-16(8-12-19)15-23(30)28-21-6-4-3-5-20(21)25/h2-14H,1,15H2,(H,26,29)(H,27,31)(H,28,30)
InChIKeyHLWKNTWEBQJLEG-UHFFFAOYSA-N
XLogP4.38
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.44
LogP ≤ 54.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[4-[2-(2-fluoroanilino)-2-oxoethyl]phenyl]-4-(prop-2-enoylamino)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N-(4-ethylphenyl)-4-N-(2-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049753
N-methyl-2-[[2-[4-(prop-2-enoylamino)phenyl]acetyl]amino]benzamide
CID 166421201
4-chloro-N-[4-(prop-2-enoylamino)phenyl]benzamide
CID 166410938
N-[4-[2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]-2-oxoethyl]phenyl]prop-2-enamide
CID 166421340
N-(2-methoxyphenyl)-4-(prop-2-enoylamino)benzamide
CID 166403508
1-N-(4-ethoxyphenyl)-4-N-(2-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049866
N-[4-[2-[2-(1-methyltetrazol-5-yl)anilino]-2-oxoethyl]phenyl]prop-2-enamide
CID 167813113
4-benzamido-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]benzamide
CID 39683129
2-[[4-[(2-phenylacetyl)amino]benzoyl]amino]benzamide
CID 17119515
N-(4-methoxyphenyl)-4-(prop-2-enoylamino)benzamide
CID 166403507
N-[2-fluoro-5-[[2-(4-fluorophenyl)acetyl]amino]phenyl]-2-phenylacetamide
CID 87006955
N-(2-ethylphenyl)-4-[(2-phenylacetyl)amino]benzamide
CID 17119447

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2-fluoroanilino)-2-oxoethyl]phenyl]-4-(prop-2-enoylamino)benzamide?
The IUPAC name of N-[4-[2-(2-fluoroanilino)-2-oxoethyl]phenyl]-4-(prop-2-enoylamino)benzamide (CID 154803721) is N-[4-[2-(2-fluoroanilino)-2-oxoethyl]phenyl]-4-(prop-2-enoylamino)benzamide.
What is the SMILES notation for N-[4-[2-(2-fluoroanilino)-2-oxoethyl]phenyl]-4-(prop-2-enoylamino)benzamide?
The canonical SMILES for N-[4-[2-(2-fluoroanilino)-2-oxoethyl]phenyl]-4-(prop-2-enoylamino)benzamide is C=CC(=O)Nc1ccc(C(=O)Nc2ccc(CC(=O)Nc3ccccc3F)cc2)cc1.
What is the InChIKey of N-[4-[2-(2-fluoroanilino)-2-oxoethyl]phenyl]-4-(prop-2-enoylamino)benzamide?
The InChIKey is HLWKNTWEBQJLEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O3/c1-2-22(29)26-18-13-9-17(10-14-18)24(31)27-19-11-7-16(8-12-19)15-23(30)28-21-6-4-3-5-20(21)25/h2-14H,1,15H2,(H,26,29)(H,27,31)(H,28,30).
What are the key properties of N-[4-[2-(2-fluoroanilino)-2-oxoethyl]phenyl]-4-(prop-2-enoylamino)benzamide?
N-[4-[2-(2-fluoroanilino)-2-oxoethyl]phenyl]-4-(prop-2-enoylamino)benzamide has a molecular weight of 417.44 g/mol, XLogP of 4.38, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2-fluoroanilino)-2-oxoethyl]phenyl]-4-(prop-2-enoylamino)benzamide is sourced from PubChem (CID 154803721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).