(E)-N-[2-(cyclopropylmethoxy)-4-fluorophenyl]-3-(1H-imidazol-2-yl)prop-2-enamide

C16H16FN3O2 — CID 166241281

IUPAC(E)-N-[2-(cyclopropylmethoxy)-4-fluorophenyl]-3-(1H-imidazol-2-yl)prop-2-enamide
SMILESO=C(/C=C/c1ncc[nH]1)Nc1ccc(F)cc1OCC1CC1
InChIInChI=1S/C16H16FN3O2/c17-12-3-4-13(14(9-12)22-10-11-1-2-11)20-16(21)6-5-15-18-7-8-19-15/h3-9,11H,1-2,10H2,(H,18,19)(H,20,21)/b6-5+
InChIKeyMWPISSNYVMMCLE-AATRIKPKSA-N
MW301.32 g/mol
LogP2.99
Rot. Bonds6

About (E)-N-[2-(cyclopropylmethoxy)-4-fluorophenyl]-3-(1H-imidazol-2-yl)prop-2-enamide

(E)-N-[2-(cyclopropylmethoxy)-4-fluorophenyl]-3-(1H-imidazol-2-yl)prop-2-enamide (PubChem CID 166241281) has the molecular formula C16H16FN3O2 and a molecular weight of 301.32 g/mol. Its IUPAC name is (E)-N-[2-(cyclopropylmethoxy)-4-fluorophenyl]-3-(1H-imidazol-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(cyclopropylmethoxy)-4-fluorophenyl]-3-(1H-imidazol-2-yl)prop-2-enamide
PubChem CID166241281
Molecular FormulaC16H16FN3O2
Molecular Weight301.32 g/mol
Exact Mass301.12
IUPAC Name(E)-N-[2-(cyclopropylmethoxy)-4-fluorophenyl]-3-(1H-imidazol-2-yl)prop-2-enamide
SMILESO=C(/C=C/c1ncc[nH]1)Nc1ccc(F)cc1OCC1CC1
InChIInChI=1S/C16H16FN3O2/c17-12-3-4-13(14(9-12)22-10-11-1-2-11)20-16(21)6-5-15-18-7-8-19-15/h3-9,11H,1-2,10H2,(H,18,19)(H,20,21)/b6-5+
InChIKeyMWPISSNYVMMCLE-AATRIKPKSA-N
XLogP2.99
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(cyclopropylmethoxy)-4-fluorophenyl]-1-(2-hydroxyethyl)-1-methylurea
CID 111453687
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(cyclopropylmethoxy)-4-fluorophenyl]acetamide
CID 119800663
N-[2-(cyclopropylmethoxy)-4-fluorophenyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 75512190
N-[2-(cyclopropylmethoxy)-4-fluorophenyl]piperidine-3-carboxamide;hydrochloride
CID 119333297
1-[2-(cyclopropylmethoxy)-4-fluorophenyl]-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111453694
N-[2-(cyclopropylmethoxy)-4-fluorophenyl]-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide
CID 75397395
3-[2-(cyclopropylmethoxy)-4-fluorophenyl]-1-(2-hydroxypropyl)-1-propan-2-ylurea
CID 111969771
2-(2-aminoethyl)-N-[2-(cyclopropylmethoxy)-4-fluorophenyl]-1,3-thiazole-4-carboxamide
CID 120635551
N-[2-(cyclopropylmethoxy)-4-formylphenyl]acetamide
CID 84795927
(E)-3-(3-aminophenyl)-N-(4-fluoro-2-methoxyphenyl)prop-2-enamide
CID 115343780
2-(cyclopropylmethoxy)-4-fluorobenzamide
CID 70194943
(E)-3-(3-fluorophenyl)-N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]prop-2-enamide
CID 134048019

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(cyclopropylmethoxy)-4-fluorophenyl]-3-(1H-imidazol-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-[2-(cyclopropylmethoxy)-4-fluorophenyl]-3-(1H-imidazol-2-yl)prop-2-enamide (CID 166241281) is (E)-N-[2-(cyclopropylmethoxy)-4-fluorophenyl]-3-(1H-imidazol-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-[2-(cyclopropylmethoxy)-4-fluorophenyl]-3-(1H-imidazol-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-[2-(cyclopropylmethoxy)-4-fluorophenyl]-3-(1H-imidazol-2-yl)prop-2-enamide is O=C(/C=C/c1ncc[nH]1)Nc1ccc(F)cc1OCC1CC1.
What is the InChIKey of (E)-N-[2-(cyclopropylmethoxy)-4-fluorophenyl]-3-(1H-imidazol-2-yl)prop-2-enamide?
The InChIKey is MWPISSNYVMMCLE-AATRIKPKSA-N. The full InChI is InChI=1S/C16H16FN3O2/c17-12-3-4-13(14(9-12)22-10-11-1-2-11)20-16(21)6-5-15-18-7-8-19-15/h3-9,11H,1-2,10H2,(H,18,19)(H,20,21)/b6-5+.
What are the key properties of (E)-N-[2-(cyclopropylmethoxy)-4-fluorophenyl]-3-(1H-imidazol-2-yl)prop-2-enamide?
(E)-N-[2-(cyclopropylmethoxy)-4-fluorophenyl]-3-(1H-imidazol-2-yl)prop-2-enamide has a molecular weight of 301.32 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(cyclopropylmethoxy)-4-fluorophenyl]-3-(1H-imidazol-2-yl)prop-2-enamide is sourced from PubChem (CID 166241281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).