N-cyclopropyl-N-[(2-fluorophenyl)methyl]but-2-enamide

C14H16FNO — CID 78911608

IUPACN-cyclopropyl-N-[(2-fluorophenyl)methyl]but-2-enamide
SMILESCC=CC(=O)N(Cc1ccccc1F)C1CC1
InChIInChI=1S/C14H16FNO/c1-2-5-14(17)16(12-8-9-12)10-11-6-3-4-7-13(11)15/h2-7,12H,8-10H2,1H3
InChIKeyHOTMTVWVVDJGAF-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.89
Rot. Bonds4

About N-cyclopropyl-N-[(2-fluorophenyl)methyl]but-2-enamide

N-cyclopropyl-N-[(2-fluorophenyl)methyl]but-2-enamide (PubChem CID 78911608) has the molecular formula C14H16FNO and a molecular weight of 233.29 g/mol. Its IUPAC name is N-cyclopropyl-N-[(2-fluorophenyl)methyl]but-2-enamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(2-fluorophenyl)methyl]but-2-enamide
PubChem CID78911608
Molecular FormulaC14H16FNO
Molecular Weight233.29 g/mol
Exact Mass233.12
IUPAC NameN-cyclopropyl-N-[(2-fluorophenyl)methyl]but-2-enamide
SMILESCC=CC(=O)N(Cc1ccccc1F)C1CC1
InChIInChI=1S/C14H16FNO/c1-2-5-14(17)16(12-8-9-12)10-11-6-3-4-7-13(11)15/h2-7,12H,8-10H2,1H3
InChIKeyHOTMTVWVVDJGAF-UHFFFAOYSA-N
XLogP2.89
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(2-chlorophenyl)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]prop-2-enamide
CID 126801006
1-N,4-N-dicyclopropyl-1-N,4-N-bis[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 134013706
N-cyclopropyl-N-[(2-fluorophenyl)methyl]butanamide
CID 60666172
(E)-N-cyclopropyl-3-(2,5-dimethoxyphenyl)-N-[(2-fluorophenyl)methyl]prop-2-enamide
CID 18198598
2-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]acetamide;hydrochloride
CID 119272337
(2S)-2-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-methylbutanamide
CID 61162931
4-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]butanamide
CID 54869271
N-cyclopropyl-3-(cyclopropylamino)-N-[(2-fluorophenyl)methyl]propanamide
CID 60936622
2-(aminomethyl)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-methylbutanamide
CID 65229877
2-(aminomethyl)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]butanamide
CID 65229876
4-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]butanamide;hydrochloride
CID 119272346
N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-(methylcarbamoylamino)acetamide
CID 75402782

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(2-fluorophenyl)methyl]but-2-enamide?
The IUPAC name of N-cyclopropyl-N-[(2-fluorophenyl)methyl]but-2-enamide (CID 78911608) is N-cyclopropyl-N-[(2-fluorophenyl)methyl]but-2-enamide.
What is the SMILES notation for N-cyclopropyl-N-[(2-fluorophenyl)methyl]but-2-enamide?
The canonical SMILES for N-cyclopropyl-N-[(2-fluorophenyl)methyl]but-2-enamide is CC=CC(=O)N(Cc1ccccc1F)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[(2-fluorophenyl)methyl]but-2-enamide?
The InChIKey is HOTMTVWVVDJGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO/c1-2-5-14(17)16(12-8-9-12)10-11-6-3-4-7-13(11)15/h2-7,12H,8-10H2,1H3.
What are the key properties of N-cyclopropyl-N-[(2-fluorophenyl)methyl]but-2-enamide?
N-cyclopropyl-N-[(2-fluorophenyl)methyl]but-2-enamide has a molecular weight of 233.29 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(2-fluorophenyl)methyl]but-2-enamide is sourced from PubChem (CID 78911608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).