N-[3-(fluoromethyl)-2-methylphenyl]prop-2-enamide

C11H12FNO — CID 122415346

IUPACN-[3-(fluoromethyl)-2-methylphenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cccc(CF)c1C
InChIInChI=1S/C11H12FNO/c1-3-11(14)13-10-6-4-5-9(7-12)8(10)2/h3-6H,1,7H2,2H3,(H,13,14)
InChIKeyUNTNXMFBFFPOJN-UHFFFAOYSA-N
MW193.22 g/mol
LogP2.59
Rot. Bonds3

About N-[3-(fluoromethyl)-2-methylphenyl]prop-2-enamide

N-[3-(fluoromethyl)-2-methylphenyl]prop-2-enamide (PubChem CID 122415346) has the molecular formula C11H12FNO and a molecular weight of 193.22 g/mol. Its IUPAC name is N-[3-(fluoromethyl)-2-methylphenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[3-(fluoromethyl)-2-methylphenyl]prop-2-enamide
PubChem CID122415346
Molecular FormulaC11H12FNO
Molecular Weight193.22 g/mol
Exact Mass193.09
IUPAC NameN-[3-(fluoromethyl)-2-methylphenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cccc(CF)c1C
InChIInChI=1S/C11H12FNO/c1-3-11(14)13-10-6-4-5-9(7-12)8(10)2/h3-6H,1,7H2,2H3,(H,13,14)
InChIKeyUNTNXMFBFFPOJN-UHFFFAOYSA-N
XLogP2.59
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 52.59
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

N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]prop-2-enamide
CID 166406189
2-(3-acetamido-2-methylphenyl)acetic acid
CID 84819235
N-(3-methyl-2-propan-2-ylphenyl)prop-2-enamide
CID 177272489
N-(2-tridecylphenyl)prop-2-enamide
CID 175316873
N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]prop-2-enamide
CID 146150404
N-(5-hydroxynaphthalen-1-yl)prop-2-enamide
CID 43700254
1-[3-(fluoromethyl)-2-methylphenyl]ethanone
CID 118460978
N-(2-propan-2-ylphenyl)prop-2-enamide
CID 23202677
N-(3-methoxy-2,4-dimethylphenyl)prop-2-enamide
CID 43696159
N-[2-(piperidin-1-ylmethyl)phenyl]prop-2-enamide
CID 139018823
N-[2-[[2-(prop-2-enoylamino)phenyl]disulfanyl]phenyl]prop-2-enamide
CID 91082426
N-(2-butan-2-ylphenyl)prop-2-enamide
CID 60778016

Frequently Asked Questions

What is the IUPAC name of N-[3-(fluoromethyl)-2-methylphenyl]prop-2-enamide?
The IUPAC name of N-[3-(fluoromethyl)-2-methylphenyl]prop-2-enamide (CID 122415346) is N-[3-(fluoromethyl)-2-methylphenyl]prop-2-enamide.
What is the SMILES notation for N-[3-(fluoromethyl)-2-methylphenyl]prop-2-enamide?
The canonical SMILES for N-[3-(fluoromethyl)-2-methylphenyl]prop-2-enamide is C=CC(=O)Nc1cccc(CF)c1C.
What is the InChIKey of N-[3-(fluoromethyl)-2-methylphenyl]prop-2-enamide?
The InChIKey is UNTNXMFBFFPOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO/c1-3-11(14)13-10-6-4-5-9(7-12)8(10)2/h3-6H,1,7H2,2H3,(H,13,14).
What are the key properties of N-[3-(fluoromethyl)-2-methylphenyl]prop-2-enamide?
N-[3-(fluoromethyl)-2-methylphenyl]prop-2-enamide has a molecular weight of 193.22 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(fluoromethyl)-2-methylphenyl]prop-2-enamide is sourced from PubChem (CID 122415346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).