(2E)-2-benzylidene-N-[1-(2-fluoroanilino)-1-oxopropan-2-yl]butanamide

C20H21FN2O2 — CID 110615579

IUPAC(2E)-2-benzylidene-N-[1-(2-fluoroanilino)-1-oxopropan-2-yl]butanamide
SMILESCC/C(=C\c1ccccc1)C(=O)NC(C)C(=O)Nc1ccccc1F
InChIInChI=1S/C20H21FN2O2/c1-3-16(13-15-9-5-4-6-10-15)20(25)22-14(2)19(24)23-18-12-8-7-11-17(18)21/h4-14H,3H2,1-2H3,(H,22,25)(H,23,24)/b16-13+
InChIKeyFJSVBEXQXWMKKL-DTQAZKPQSA-N
MW340.40 g/mol
LogP3.76
Rot. Bonds6

About (2E)-2-benzylidene-N-[1-(2-fluoroanilino)-1-oxopropan-2-yl]butanamide

(2E)-2-benzylidene-N-[1-(2-fluoroanilino)-1-oxopropan-2-yl]butanamide (PubChem CID 110615579) has the molecular formula C20H21FN2O2 and a molecular weight of 340.40 g/mol. Its IUPAC name is (2E)-2-benzylidene-N-[1-(2-fluoroanilino)-1-oxopropan-2-yl]butanamide.

Molecular Properties

Compound Name(2E)-2-benzylidene-N-[1-(2-fluoroanilino)-1-oxopropan-2-yl]butanamide
PubChem CID110615579
Molecular FormulaC20H21FN2O2
Molecular Weight340.40 g/mol
Exact Mass340.16
IUPAC Name(2E)-2-benzylidene-N-[1-(2-fluoroanilino)-1-oxopropan-2-yl]butanamide
SMILESCC/C(=C\c1ccccc1)C(=O)NC(C)C(=O)Nc1ccccc1F
InChIInChI=1S/C20H21FN2O2/c1-3-16(13-15-9-5-4-6-10-15)20(25)22-14(2)19(24)23-18-12-8-7-11-17(18)21/h4-14H,3H2,1-2H3,(H,22,25)(H,23,24)/b16-13+
InChIKeyFJSVBEXQXWMKKL-DTQAZKPQSA-N
XLogP3.76
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.76
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

2-(dimethylcarbamoylamino)-N-(2-fluorophenyl)propanamide
CID 110601209
(2R)-2-[(2-fluorophenyl)carbamoylamino]-N-propylpropanamide
CID 94185477
1-[(2R)-butan-2-yl]-3-(2-fluorophenyl)urea
CID 727758
2-bromo-N-(2-fluorophenyl)-3-phenylprop-2-enamide
CID 4065787
2-[(4-chlorophenyl)carbamoylamino]-N-(2-fluorophenyl)propanamide
CID 110407940
(2R)-N-(2-fluorophenyl)-2-phenylbutanamide
CID 7313846
N-(2-fluorophenyl)-2-phenylbutanamide
CID 3897268
2-amino-N-(2-fluorophenyl)propanamide
CID 24707617
N-[1-(2-fluoroanilino)-1-oxopropan-2-yl]-5-(4-methoxyphenyl)pentanamide
CID 110615569
N-[1-(2-fluoroanilino)-1-oxopropan-2-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 110606499
2-amino-N-(2-fluorophenyl)-3-methylpentanamide
CID 24698442
(Z)-2-ethyl-4-(2-fluoroanilino)but-2-enoic acid
CID 103235463

Frequently Asked Questions

What is the IUPAC name of (2E)-2-benzylidene-N-[1-(2-fluoroanilino)-1-oxopropan-2-yl]butanamide?
The IUPAC name of (2E)-2-benzylidene-N-[1-(2-fluoroanilino)-1-oxopropan-2-yl]butanamide (CID 110615579) is (2E)-2-benzylidene-N-[1-(2-fluoroanilino)-1-oxopropan-2-yl]butanamide.
What is the SMILES notation for (2E)-2-benzylidene-N-[1-(2-fluoroanilino)-1-oxopropan-2-yl]butanamide?
The canonical SMILES for (2E)-2-benzylidene-N-[1-(2-fluoroanilino)-1-oxopropan-2-yl]butanamide is CC/C(=C\c1ccccc1)C(=O)NC(C)C(=O)Nc1ccccc1F.
What is the InChIKey of (2E)-2-benzylidene-N-[1-(2-fluoroanilino)-1-oxopropan-2-yl]butanamide?
The InChIKey is FJSVBEXQXWMKKL-DTQAZKPQSA-N. The full InChI is InChI=1S/C20H21FN2O2/c1-3-16(13-15-9-5-4-6-10-15)20(25)22-14(2)19(24)23-18-12-8-7-11-17(18)21/h4-14H,3H2,1-2H3,(H,22,25)(H,23,24)/b16-13+.
What are the key properties of (2E)-2-benzylidene-N-[1-(2-fluoroanilino)-1-oxopropan-2-yl]butanamide?
(2E)-2-benzylidene-N-[1-(2-fluoroanilino)-1-oxopropan-2-yl]butanamide has a molecular weight of 340.40 g/mol, XLogP of 3.76, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-benzylidene-N-[1-(2-fluoroanilino)-1-oxopropan-2-yl]butanamide is sourced from PubChem (CID 110615579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).