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

C16H13FN2O2 — CID 2677129

IUPAC4-[[(E)-3-(3-fluorophenyl)prop-2-enoyl]amino]benzamide
SMILESNC(=O)c1ccc(NC(=O)/C=C/c2cccc(F)c2)cc1
InChIInChI=1S/C16H13FN2O2/c17-13-3-1-2-11(10-13)4-9-15(20)19-14-7-5-12(6-8-14)16(18)21/h1-10H,(H2,18,21)(H,19,20)/b9-4+
InChIKeyHCKRCNRBTJHWEZ-RUDMXATFSA-N
MW284.29 g/mol
LogP2.58
Rot. Bonds4

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

4-[[(E)-3-(3-fluorophenyl)prop-2-enoyl]amino]benzamide (PubChem CID 2677129) has the molecular formula C16H13FN2O2 and a molecular weight of 284.29 g/mol. Its IUPAC name is 4-[[(E)-3-(3-fluorophenyl)prop-2-enoyl]amino]benzamide.

Molecular Properties

Compound Name4-[[(E)-3-(3-fluorophenyl)prop-2-enoyl]amino]benzamide
PubChem CID2677129
Molecular FormulaC16H13FN2O2
Molecular Weight284.29 g/mol
Exact Mass284.10
IUPAC Name4-[[(E)-3-(3-fluorophenyl)prop-2-enoyl]amino]benzamide
SMILESNC(=O)c1ccc(NC(=O)/C=C/c2cccc(F)c2)cc1
InChIInChI=1S/C16H13FN2O2/c17-13-3-1-2-11(10-13)4-9-15(20)19-14-7-5-12(6-8-14)16(18)21/h1-10H,(H2,18,21)(H,19,20)/b9-4+
InChIKeyHCKRCNRBTJHWEZ-RUDMXATFSA-N
XLogP2.58
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 52.58
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

3-(3-fluorophenyl)-N-[4-(hydroxymethyl)phenyl]prop-2-enamide
CID 77042676
(E)-3-(3-fluorophenyl)-N-pyridin-4-ylprop-2-enamide
CID 39471692
N-[4-(dimethylamino)phenyl]-3-(3-fluorophenyl)prop-2-enamide
CID 78776344
butyl 4-[[(E)-3-(3-fluorophenyl)prop-2-enoyl]amino]benzoate
CID 7927008
4-(3-anilino-3-oxoprop-1-enyl)benzamide
CID 77047630
(E)-3-(3-fluorophenyl)-N-[4-(trifluoromethoxy)phenyl]prop-2-enamide
CID 2678287
2-cyano-N-[3-[[(E)-3-(3-fluorophenyl)prop-2-enoyl]amino]phenyl]acetamide
CID 108922820
2-chloro-5-[[(E)-3-(3-fluorophenyl)prop-2-enoyl]amino]benzoic acid
CID 84555269
methyl N-[4-[[(E)-3-(3-fluorophenyl)prop-2-enoyl]amino]phenyl]-N-methylcarbamate
CID 60578498
(E)-3-(3-fluorophenyl)-N-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]prop-2-enamide
CID 108933927
(E)-3-(3,4-dihydroxyphenyl)-N-(3-fluorophenyl)prop-2-enamide
CID 46907512
(E)-N-[4-(diethylsulfamoyl)phenyl]-3-(3-fluorophenyl)prop-2-enamide
CID 7760313

Frequently Asked Questions

What is the IUPAC name of 4-[[(E)-3-(3-fluorophenyl)prop-2-enoyl]amino]benzamide?
The IUPAC name of 4-[[(E)-3-(3-fluorophenyl)prop-2-enoyl]amino]benzamide (CID 2677129) is 4-[[(E)-3-(3-fluorophenyl)prop-2-enoyl]amino]benzamide.
What is the SMILES notation for 4-[[(E)-3-(3-fluorophenyl)prop-2-enoyl]amino]benzamide?
The canonical SMILES for 4-[[(E)-3-(3-fluorophenyl)prop-2-enoyl]amino]benzamide is NC(=O)c1ccc(NC(=O)/C=C/c2cccc(F)c2)cc1.
What is the InChIKey of 4-[[(E)-3-(3-fluorophenyl)prop-2-enoyl]amino]benzamide?
The InChIKey is HCKRCNRBTJHWEZ-RUDMXATFSA-N. The full InChI is InChI=1S/C16H13FN2O2/c17-13-3-1-2-11(10-13)4-9-15(20)19-14-7-5-12(6-8-14)16(18)21/h1-10H,(H2,18,21)(H,19,20)/b9-4+.
What are the key properties of 4-[[(E)-3-(3-fluorophenyl)prop-2-enoyl]amino]benzamide?
4-[[(E)-3-(3-fluorophenyl)prop-2-enoyl]amino]benzamide has a molecular weight of 284.29 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(E)-3-(3-fluorophenyl)prop-2-enoyl]amino]benzamide is sourced from PubChem (CID 2677129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).