(E)-N-(4-fluorophenyl)-3-(2-methyl-2H-chromen-3-yl)prop-2-enamide

C19H16FNO2 — CID 6126693

IUPAC(E)-N-(4-fluorophenyl)-3-(2-methyl-2H-chromen-3-yl)prop-2-enamide
SMILESCC1Oc2ccccc2C=C1/C=C/C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C19H16FNO2/c1-13-14(12-15-4-2-3-5-18(15)23-13)6-11-19(22)21-17-9-7-16(20)8-10-17/h2-13H,1H3,(H,21,22)/b11-6+
InChIKeyXKHIOPLOSUVXAI-IZZDOVSWSA-N
MW309.34 g/mol
LogP4.18
Rot. Bonds3

About (E)-N-(4-fluorophenyl)-3-(2-methyl-2H-chromen-3-yl)prop-2-enamide

(E)-N-(4-fluorophenyl)-3-(2-methyl-2H-chromen-3-yl)prop-2-enamide (PubChem CID 6126693) has the molecular formula C19H16FNO2 and a molecular weight of 309.34 g/mol. Its IUPAC name is (E)-N-(4-fluorophenyl)-3-(2-methyl-2H-chromen-3-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-fluorophenyl)-3-(2-methyl-2H-chromen-3-yl)prop-2-enamide
PubChem CID6126693
Molecular FormulaC19H16FNO2
Molecular Weight309.34 g/mol
Exact Mass309.12
IUPAC Name(E)-N-(4-fluorophenyl)-3-(2-methyl-2H-chromen-3-yl)prop-2-enamide
SMILESCC1Oc2ccccc2C=C1/C=C/C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C19H16FNO2/c1-13-14(12-15-4-2-3-5-18(15)23-13)6-11-19(22)21-17-9-7-16(20)8-10-17/h2-13H,1H3,(H,21,22)/b11-6+
InChIKeyXKHIOPLOSUVXAI-IZZDOVSWSA-N
XLogP4.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[[(E)-3-(2-methyl-2H-chromen-3-yl)prop-2-enoyl]amino]benzoic acid
CID 6126643
1-(3-hydroxyphenyl)-3-[(2S)-2-methyl-2H-chromen-3-yl]prop-2-en-1-one
CID 163083554
(2S)-2-methyl-2H-chromene-3-carbaldehyde
CID 907603
(2R)-2-methyl-2H-chromene-3-carbaldehyde
CID 907604
(E)-N-(4-acetamidophenyl)-3-(2H-chromen-3-yl)prop-2-enamide
CID 7465096
(E)-N-[4-(1,3-benzothiazol-2-yl)phenyl]-3-(4-fluorophenyl)prop-2-enamide
CID 6139011
(Z)-1-[(2R)-2-methyl-2H-chromen-3-yl]-N-[(Z)-[(2R)-2-methyl-2H-chromen-3-yl]methylideneamino]methanimine
CID 34309346
(E)-3-[5-(4-fluorophenyl)thiophen-2-yl]-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)prop-2-enamide
CID 46509280
N-[(Z)-[(2S)-2-methyl-2H-chromen-3-yl]methylideneamino]-1H-benzimidazol-2-amine
CID 40537515
4-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-N,N-dimethylbenzamide
CID 7729326
(E)-N-(4-fluorophenyl)-3-(5-methylthiophen-2-yl)prop-2-enamide
CID 7789521
N-(4-acetamidophenyl)-3-(2-fluorophenyl)prop-2-enamide
CID 3454978

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-fluorophenyl)-3-(2-methyl-2H-chromen-3-yl)prop-2-enamide?
The IUPAC name of (E)-N-(4-fluorophenyl)-3-(2-methyl-2H-chromen-3-yl)prop-2-enamide (CID 6126693) is (E)-N-(4-fluorophenyl)-3-(2-methyl-2H-chromen-3-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-(4-fluorophenyl)-3-(2-methyl-2H-chromen-3-yl)prop-2-enamide?
The canonical SMILES for (E)-N-(4-fluorophenyl)-3-(2-methyl-2H-chromen-3-yl)prop-2-enamide is CC1Oc2ccccc2C=C1/C=C/C(=O)Nc1ccc(F)cc1.
What is the InChIKey of (E)-N-(4-fluorophenyl)-3-(2-methyl-2H-chromen-3-yl)prop-2-enamide?
The InChIKey is XKHIOPLOSUVXAI-IZZDOVSWSA-N. The full InChI is InChI=1S/C19H16FNO2/c1-13-14(12-15-4-2-3-5-18(15)23-13)6-11-19(22)21-17-9-7-16(20)8-10-17/h2-13H,1H3,(H,21,22)/b11-6+.
What are the key properties of (E)-N-(4-fluorophenyl)-3-(2-methyl-2H-chromen-3-yl)prop-2-enamide?
(E)-N-(4-fluorophenyl)-3-(2-methyl-2H-chromen-3-yl)prop-2-enamide has a molecular weight of 309.34 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-fluorophenyl)-3-(2-methyl-2H-chromen-3-yl)prop-2-enamide is sourced from PubChem (CID 6126693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).