4-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-N,N-dimethylbenzamide

C18H17FN2O2 — CID 7729326

IUPAC4-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(NC(=O)/C=C/c2ccc(F)cc2)cc1
InChIInChI=1S/C18H17FN2O2/c1-21(2)18(23)14-6-10-16(11-7-14)20-17(22)12-5-13-3-8-15(19)9-4-13/h3-12H,1-2H3,(H,20,22)/b12-5+
InChIKeyJOBFFCSEQAWMRV-LFYBBSHMSA-N
MW312.34 g/mol
LogP3.18
Rot. Bonds4

About 4-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-N,N-dimethylbenzamide

4-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-N,N-dimethylbenzamide (PubChem CID 7729326) has the molecular formula C18H17FN2O2 and a molecular weight of 312.34 g/mol. Its IUPAC name is 4-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-N,N-dimethylbenzamide
PubChem CID7729326
Molecular FormulaC18H17FN2O2
Molecular Weight312.34 g/mol
Exact Mass312.13
IUPAC Name4-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(NC(=O)/C=C/c2ccc(F)cc2)cc1
InChIInChI=1S/C18H17FN2O2/c1-21(2)18(23)14-6-10-16(11-7-14)20-17(22)12-5-13-3-8-15(19)9-4-13/h3-12H,1-2H3,(H,20,22)/b12-5+
InChIKeyJOBFFCSEQAWMRV-LFYBBSHMSA-N
XLogP3.18
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-4-[(E)-3-oxo-3-(4-propan-2-yloxyanilino)prop-1-enyl]benzamide
CID 110300756
4-[(E)-3-(3-bromo-4-methylanilino)-3-oxoprop-1-enyl]-N,N-dimethylbenzamide
CID 110300748
4-[(E)-3-(2-fluoroanilino)-3-oxoprop-1-enyl]-N,N-dimethylbenzamide
CID 110300734
3-[[(E)-3-(4-acetamidophenyl)prop-2-enoyl]amino]-N,N-dimethylbenzamide
CID 32852031
N-ethyl-4-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-N-naphthalen-1-ylbenzamide
CID 6234774
N,N-dimethyl-4-[[(E)-3-(4-methylphenyl)prop-2-enoyl]carbamothioylamino]benzamide
CID 17231503
N,N-dimethyl-4-[(E)-3-oxo-3-[(2-oxo-3H-1,3-benzoxazol-6-yl)amino]prop-1-enyl]benzamide
CID 110411159
(E)-3-(4-fluorophenyl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]prop-2-enamide
CID 38175849
4-[(E)-3-[[2-[4-(dimethylamino)anilino]-2-oxoethyl]amino]-3-oxoprop-1-enyl]-N,N-dimethylbenzamide
CID 110615421
N,N-dimethyl-4-[(E)-3-(2-methylanilino)-3-oxoprop-1-enyl]benzamide
CID 110300711
N-(3,4-difluorophenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 4695232
3-(4-fluorophenyl)-N-(4-nitrophenyl)prop-2-enamide
CID 5235335

Frequently Asked Questions

What is the IUPAC name of 4-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-N,N-dimethylbenzamide?
The IUPAC name of 4-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-N,N-dimethylbenzamide (CID 7729326) is 4-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(NC(=O)/C=C/c2ccc(F)cc2)cc1.
What is the InChIKey of 4-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-N,N-dimethylbenzamide?
The InChIKey is JOBFFCSEQAWMRV-LFYBBSHMSA-N. The full InChI is InChI=1S/C18H17FN2O2/c1-21(2)18(23)14-6-10-16(11-7-14)20-17(22)12-5-13-3-8-15(19)9-4-13/h3-12H,1-2H3,(H,20,22)/b12-5+.
What are the key properties of 4-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-N,N-dimethylbenzamide?
4-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-N,N-dimethylbenzamide has a molecular weight of 312.34 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 7729326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).