N-(4-fluorophenyl)-3-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]benzamide

C23H19FN2O2 — CID 26158897

IUPACN-(4-fluorophenyl)-3-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]benzamide
SMILESCc1ccc(/C=C/C(=O)Nc2cccc(C(=O)Nc3ccc(F)cc3)c2)cc1
InChIInChI=1S/C23H19FN2O2/c1-16-5-7-17(8-6-16)9-14-22(27)25-21-4-2-3-18(15-21)23(28)26-20-12-10-19(24)11-13-20/h2-15H,1H3,(H,25,27)(H,26,28)/b14-9+
InChIKeyUCTNOGZSBFNDKZ-NTEUORMPSA-N
MW374.42 g/mol
LogP5.04
Rot. Bonds5

About N-(4-fluorophenyl)-3-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]benzamide

N-(4-fluorophenyl)-3-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]benzamide (PubChem CID 26158897) has the molecular formula C23H19FN2O2 and a molecular weight of 374.42 g/mol. Its IUPAC name is N-(4-fluorophenyl)-3-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]benzamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-3-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]benzamide
PubChem CID26158897
Molecular FormulaC23H19FN2O2
Molecular Weight374.42 g/mol
Exact Mass374.14
IUPAC NameN-(4-fluorophenyl)-3-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]benzamide
SMILESCc1ccc(/C=C/C(=O)Nc2cccc(C(=O)Nc3ccc(F)cc3)c2)cc1
InChIInChI=1S/C23H19FN2O2/c1-16-5-7-17(8-6-16)9-14-22(27)25-21-4-2-3-18(15-21)23(28)26-20-12-10-19(24)11-13-20/h2-15H,1H3,(H,25,27)(H,26,28)/b14-9+
InChIKeyUCTNOGZSBFNDKZ-NTEUORMPSA-N
XLogP5.04
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.42
LogP ≤ 55.04
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-tert-butyl-N-[3-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]phenyl]benzamide
CID 17232322
(E)-N-(3-acetamidophenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 2671059
(E)-N-(3-acetamidophenyl)-3-(4-methylphenyl)prop-2-enamide
CID 7741781
3-N-(3-fluorophenyl)-1-N-(4-methylphenyl)benzene-1,3-dicarboxamide
CID 109056998
N-(3-chloro-4-fluorophenyl)-3-[[(E)-3-phenylprop-2-enoyl]amino]benzamide
CID 26166587
N-methyl-3-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]-N-phenylbenzamide
CID 17227789
1-N-(4-fluorophenyl)-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide
CID 109049357
N-[3-[[(E)-3-(4-methylphenyl)prop-2-enoyl]carbamothioylamino]phenyl]benzamide
CID 17235148
N-methyl-4-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]benzamide
CID 9164572
methyl 3-[[(E)-3-(4-acetamidophenyl)prop-2-enoyl]amino]benzoate
CID 34059862
N-[4-[[3-(4-fluorophenyl)prop-2-enoylamino]carbamoyl]phenyl]benzamide
CID 3299354
4-chloro-N-[3-[(E)-3-(4-fluorophenyl)prop-2-enoyl]phenyl]benzamide
CID 177378529

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-3-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]benzamide?
The IUPAC name of N-(4-fluorophenyl)-3-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]benzamide (CID 26158897) is N-(4-fluorophenyl)-3-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]benzamide.
What is the SMILES notation for N-(4-fluorophenyl)-3-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]benzamide?
The canonical SMILES for N-(4-fluorophenyl)-3-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]benzamide is Cc1ccc(/C=C/C(=O)Nc2cccc(C(=O)Nc3ccc(F)cc3)c2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-3-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]benzamide?
The InChIKey is UCTNOGZSBFNDKZ-NTEUORMPSA-N. The full InChI is InChI=1S/C23H19FN2O2/c1-16-5-7-17(8-6-16)9-14-22(27)25-21-4-2-3-18(15-21)23(28)26-20-12-10-19(24)11-13-20/h2-15H,1H3,(H,25,27)(H,26,28)/b14-9+.
What are the key properties of N-(4-fluorophenyl)-3-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]benzamide?
N-(4-fluorophenyl)-3-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]benzamide has a molecular weight of 374.42 g/mol, XLogP of 5.04, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-3-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]benzamide is sourced from PubChem (CID 26158897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).