N-[(4-fluorophenyl)methyl]-3-(4-methylphenyl)prop-2-enamide

C17H16FNO — CID 868947

IUPACN-[(4-fluorophenyl)methyl]-3-(4-methylphenyl)prop-2-enamide
SMILESCc1ccc(C=CC(=O)NCc2ccc(F)cc2)cc1
InChIInChI=1S/C17H16FNO/c1-13-2-4-14(5-3-13)8-11-17(20)19-12-15-6-9-16(18)10-7-15/h2-11H,12H2,1H3,(H,19,20)
InChIKeyGWCQNZCFPCTZPF-UHFFFAOYSA-N
MW269.32 g/mol
LogP3.46
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-3-(4-methylphenyl)prop-2-enamide

N-[(4-fluorophenyl)methyl]-3-(4-methylphenyl)prop-2-enamide (PubChem CID 868947) has the molecular formula C17H16FNO and a molecular weight of 269.32 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-(4-methylphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-(4-methylphenyl)prop-2-enamide
PubChem CID868947
Molecular FormulaC17H16FNO
Molecular Weight269.32 g/mol
Exact Mass269.12
IUPAC NameN-[(4-fluorophenyl)methyl]-3-(4-methylphenyl)prop-2-enamide
SMILESCc1ccc(C=CC(=O)NCc2ccc(F)cc2)cc1
InChIInChI=1S/C17H16FNO/c1-13-2-4-14(5-3-13)8-11-17(20)19-12-15-6-9-16(18)10-7-15/h2-11H,12H2,1H3,(H,19,20)
InChIKeyGWCQNZCFPCTZPF-UHFFFAOYSA-N
XLogP3.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(4-aminophenyl)-N-[(4-methylphenyl)methyl]prop-2-enamide
CID 84557574
4-[[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]methyl]benzoic acid
CID 17171986
N-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)prop-2-enamide
CID 4103426
(E)-3-[4-(difluoromethoxy)phenyl]-N-[(4-methylphenyl)methyl]prop-2-enamide
CID 7916746
(E)-3-(4-methylphenyl)-N-(1H-pyrrol-3-ylmethyl)prop-2-enamide
CID 106385593
(E)-3-(4-methylphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]prop-2-enamide
CID 30384892
N-[(3,4-dichlorophenyl)methyl]-3-(4-fluorophenyl)prop-2-enamide
CID 5049384
(E)-3-(3-amino-4-methylphenyl)-N-[(4-methylphenyl)methyl]prop-2-enamide
CID 39380497
3-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]prop-2-enamide
CID 898590
(E)-3-(4-methylphenyl)-N-[2-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]ethyl]prop-2-enamide
CID 2180886
(E)-3-[4-(cyanomethoxy)phenyl]-N-[(4-fluorophenyl)methyl]prop-2-enamide
CID 26796222
(E)-3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 790889

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-(4-methylphenyl)prop-2-enamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-(4-methylphenyl)prop-2-enamide (CID 868947) is N-[(4-fluorophenyl)methyl]-3-(4-methylphenyl)prop-2-enamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-(4-methylphenyl)prop-2-enamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-(4-methylphenyl)prop-2-enamide is Cc1ccc(C=CC(=O)NCc2ccc(F)cc2)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-(4-methylphenyl)prop-2-enamide?
The InChIKey is GWCQNZCFPCTZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO/c1-13-2-4-14(5-3-13)8-11-17(20)19-12-15-6-9-16(18)10-7-15/h2-11H,12H2,1H3,(H,19,20).
What are the key properties of N-[(4-fluorophenyl)methyl]-3-(4-methylphenyl)prop-2-enamide?
N-[(4-fluorophenyl)methyl]-3-(4-methylphenyl)prop-2-enamide has a molecular weight of 269.32 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-(4-methylphenyl)prop-2-enamide is sourced from PubChem (CID 868947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).