N-[(4-fluorophenyl)methyl]-4-methoxy-3-prop-2-enylbenzamide

C18H18FNO2 — CID 92647071

IUPACN-[(4-fluorophenyl)methyl]-4-methoxy-3-prop-2-enylbenzamide
SMILESC=CCc1cc(C(=O)NCc2ccc(F)cc2)ccc1OC
InChIInChI=1S/C18H18FNO2/c1-3-4-14-11-15(7-10-17(14)22-2)18(21)20-12-13-5-8-16(19)9-6-13/h3,5-11H,1,4,12H2,2H3,(H,20,21)
InChIKeyUREAKYDVPNYFEB-UHFFFAOYSA-N
MW299.35 g/mol
LogP3.49
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-4-methoxy-3-prop-2-enylbenzamide

N-[(4-fluorophenyl)methyl]-4-methoxy-3-prop-2-enylbenzamide (PubChem CID 92647071) has the molecular formula C18H18FNO2 and a molecular weight of 299.35 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4-methoxy-3-prop-2-enylbenzamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4-methoxy-3-prop-2-enylbenzamide
PubChem CID92647071
Molecular FormulaC18H18FNO2
Molecular Weight299.35 g/mol
Exact Mass299.13
IUPAC NameN-[(4-fluorophenyl)methyl]-4-methoxy-3-prop-2-enylbenzamide
SMILESC=CCc1cc(C(=O)NCc2ccc(F)cc2)ccc1OC
InChIInChI=1S/C18H18FNO2/c1-3-4-14-11-15(7-10-17(14)22-2)18(21)20-12-13-5-8-16(19)9-6-13/h3,5-11H,1,4,12H2,2H3,(H,20,21)
InChIKeyUREAKYDVPNYFEB-UHFFFAOYSA-N
XLogP3.49
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N,3-N-bis[(4-fluorophenyl)methyl]-4-methoxybenzene-1,3-dicarboxamide
CID 71761549
2-(5-acetyl-2-methoxyphenyl)-N-[(4-fluorophenyl)methyl]acetamide
CID 30843339
4-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide
CID 110779968
N-[(2,4-dichlorophenyl)methyl]-4-methoxy-3-prop-2-enylbenzamide
CID 21367878
4-amino-N-[(4-fluorophenyl)methyl]-3-prop-2-enoxybenzamide
CID 82069780
N-[3-(dimethylamino)propyl]-4-methoxy-3-prop-2-enylbenzamide
CID 21173960
N-[(4-fluorophenyl)methyl]-3-methoxy-4-(3-methylbutoxy)benzamide
CID 112791004
methyl 5-[[(4-fluorobenzoyl)amino]methyl]-2-methoxybenzoate
CID 18113005
3-methoxy-N-[[4-(methylcarbamoyl)phenyl]methyl]-4-prop-2-enoxybenzamide
CID 55575895
N-[(3-fluorophenyl)methyl]-3-methoxy-4-prop-2-enoxybenzamide
CID 46586210
3,4-dimethoxy-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]-5-prop-2-enylbenzamide
CID 55748619
3,4-dimethoxy-5-prop-2-enyl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]benzamide
CID 18271704

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-4-methoxy-3-prop-2-enylbenzamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4-methoxy-3-prop-2-enylbenzamide (CID 92647071) is N-[(4-fluorophenyl)methyl]-4-methoxy-3-prop-2-enylbenzamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4-methoxy-3-prop-2-enylbenzamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4-methoxy-3-prop-2-enylbenzamide is C=CCc1cc(C(=O)NCc2ccc(F)cc2)ccc1OC.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4-methoxy-3-prop-2-enylbenzamide?
The InChIKey is UREAKYDVPNYFEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO2/c1-3-4-14-11-15(7-10-17(14)22-2)18(21)20-12-13-5-8-16(19)9-6-13/h3,5-11H,1,4,12H2,2H3,(H,20,21).
What are the key properties of N-[(4-fluorophenyl)methyl]-4-methoxy-3-prop-2-enylbenzamide?
N-[(4-fluorophenyl)methyl]-4-methoxy-3-prop-2-enylbenzamide has a molecular weight of 299.35 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-4-methoxy-3-prop-2-enylbenzamide is sourced from PubChem (CID 92647071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).