(Z)-3-[3-(3-fluorophenyl)phenyl]prop-2-enamide

C15H12FNO — CID 170876888

IUPAC(Z)-3-[3-(3-fluorophenyl)phenyl]prop-2-enamide
SMILESNC(=O)/C=C\c1cccc(-c2cccc(F)c2)c1
InChIInChI=1S/C15H12FNO/c16-14-6-2-5-13(10-14)12-4-1-3-11(9-12)7-8-15(17)18/h1-10H,(H2,17,18)/b8-7-
InChIKeyARUJAJJMKQJNRN-FPLPWBNLSA-N
MW241.26 g/mol
LogP2.99
Rot. Bonds3

About (Z)-3-[3-(3-fluorophenyl)phenyl]prop-2-enamide

(Z)-3-[3-(3-fluorophenyl)phenyl]prop-2-enamide (PubChem CID 170876888) has the molecular formula C15H12FNO and a molecular weight of 241.26 g/mol. Its IUPAC name is (Z)-3-[3-(3-fluorophenyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-[3-(3-fluorophenyl)phenyl]prop-2-enamide
PubChem CID170876888
Molecular FormulaC15H12FNO
Molecular Weight241.26 g/mol
Exact Mass241.09
IUPAC Name(Z)-3-[3-(3-fluorophenyl)phenyl]prop-2-enamide
SMILESNC(=O)/C=C\c1cccc(-c2cccc(F)c2)c1
InChIInChI=1S/C15H12FNO/c16-14-6-2-5-13(10-14)12-4-1-3-11(9-12)7-8-15(17)18/h1-10H,(H2,17,18)/b8-7-
InChIKeyARUJAJJMKQJNRN-FPLPWBNLSA-N
XLogP2.99
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.26
LogP ≤ 52.99
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

(Z)-3-[4-(3-fluorophenyl)phenyl]prop-2-enamide
CID 170876937
(Z)-3-[3-(4-acetylphenyl)phenyl]prop-2-enamide
CID 170877551
(E)-3-[2-(3-fluorophenyl)-4-methylphenyl]prop-2-enamide
CID 170399726
3-(3-fluorophenyl)prop-2-enoate
CID 53448593
(Z)-3-(3-ethenylphenyl)prop-2-enamide
CID 55267303
(Z)-3-(3-iodophenyl)prop-2-enamide
CID 131504945
(Z)-3-(3-bromophenyl)prop-2-enamide
CID 11775854
3-(3-methylsulfanylphenyl)prop-2-enamide
CID 169481437
propan-2-yl 4-[3-[(Z)-3-amino-3-oxoprop-1-enyl]phenyl]benzoate
CID 170877625
3-(3-nitrophenyl)prop-2-enamide
CID 692292
3-(4-bromo-3-fluorophenyl)prop-2-enamide
CID 169482722
2-[[3-(3-fluorophenyl)phenyl]methylideneamino]guanidine
CID 168590584

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[3-(3-fluorophenyl)phenyl]prop-2-enamide?
The IUPAC name of (Z)-3-[3-(3-fluorophenyl)phenyl]prop-2-enamide (CID 170876888) is (Z)-3-[3-(3-fluorophenyl)phenyl]prop-2-enamide.
What is the SMILES notation for (Z)-3-[3-(3-fluorophenyl)phenyl]prop-2-enamide?
The canonical SMILES for (Z)-3-[3-(3-fluorophenyl)phenyl]prop-2-enamide is NC(=O)/C=C\c1cccc(-c2cccc(F)c2)c1.
What is the InChIKey of (Z)-3-[3-(3-fluorophenyl)phenyl]prop-2-enamide?
The InChIKey is ARUJAJJMKQJNRN-FPLPWBNLSA-N. The full InChI is InChI=1S/C15H12FNO/c16-14-6-2-5-13(10-14)12-4-1-3-11(9-12)7-8-15(17)18/h1-10H,(H2,17,18)/b8-7-.
What are the key properties of (Z)-3-[3-(3-fluorophenyl)phenyl]prop-2-enamide?
(Z)-3-[3-(3-fluorophenyl)phenyl]prop-2-enamide has a molecular weight of 241.26 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[3-(3-fluorophenyl)phenyl]prop-2-enamide is sourced from PubChem (CID 170876888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).