[(Z)-(7-methoxy-2,3-dihydrochromen-4-ylidene)amino] 3-fluorobenzoate

C17H14FNO4 — CID 5347199

IUPAC[(Z)-(7-methoxy-2,3-dihydrochromen-4-ylidene)amino] 3-fluorobenzoate
SMILESCOc1ccc2c(c1)OCC/C2=N/OC(=O)c1cccc(F)c1
InChIInChI=1S/C17H14FNO4/c1-21-13-5-6-14-15(7-8-22-16(14)10-13)19-23-17(20)11-3-2-4-12(18)9-11/h2-6,9-10H,7-8H2,1H3/b19-15-
InChIKeyQWCXLQXELPZPPC-CYVLTUHYSA-N
MW315.30 g/mol
LogP3.18
Rot. Bonds3

About [(Z)-(7-methoxy-2,3-dihydrochromen-4-ylidene)amino] 3-fluorobenzoate

[(Z)-(7-methoxy-2,3-dihydrochromen-4-ylidene)amino] 3-fluorobenzoate (PubChem CID 5347199) has the molecular formula C17H14FNO4 and a molecular weight of 315.30 g/mol. Its IUPAC name is [(Z)-(7-methoxy-2,3-dihydrochromen-4-ylidene)amino] 3-fluorobenzoate.

Molecular Properties

Compound Name[(Z)-(7-methoxy-2,3-dihydrochromen-4-ylidene)amino] 3-fluorobenzoate
PubChem CID5347199
Molecular FormulaC17H14FNO4
Molecular Weight315.30 g/mol
Exact Mass315.09
IUPAC Name[(Z)-(7-methoxy-2,3-dihydrochromen-4-ylidene)amino] 3-fluorobenzoate
SMILESCOc1ccc2c(c1)OCC/C2=N/OC(=O)c1cccc(F)c1
InChIInChI=1S/C17H14FNO4/c1-21-13-5-6-14-15(7-8-22-16(14)10-13)19-23-17(20)11-3-2-4-12(18)9-11/h2-6,9-10H,7-8H2,1H3/b19-15-
InChIKeyQWCXLQXELPZPPC-CYVLTUHYSA-N
XLogP3.18
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.30
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [(Z)-(7-methoxy-2,3-dihydrochromen-4-ylidene)amino] 3-fluorobenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-7-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methoxy]-2H-chromen-2-one
CID 2815899
1-phenylethanone O-(4-methoxybenzoyl)oxime
CID 5412057
(4-Methyl-2-oxochromen-7-yl) benzoate
CID 827944
7-[3-(2,4-Dimethoxy-phenyl)-4,5-dihydro-isoxazol-5-ylmethoxy]-4-methyl-chromen-2-one
CID 4860019
7-[3-(2-Methoxy-phenyl)-4,5-dihydro-isoxazol-5-ylmethoxy]-4-methyl-chromen-2-one
CID 4893252
3-butyl-8-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-7-methoxy-4-methylchromen-2-one
CID 6085217
(7-Ethoxy-4-methyl-2-oxochromen-8-yl)methyl 4-fluorobenzoate
CID 155518979
(4-Methyl-2-oxo-7-propan-2-yloxychromen-8-yl)methyl 4-fluorobenzoate
CID 155544439
(7-Ethoxy-4-methyl-2-oxochromen-8-yl)methyl 2,6-difluorobenzoate
CID 155552541
methyl 4-[[(E)-(2,4-dimethoxyphenyl)methylideneamino]oxymethyl]benzoate
CID 6905549
1-(4-methylphenyl)-1-propanone O-(4-isopropoxybenzoyl)oxime
CID 5412285
7-[(2E)-2-hydroxyiminopropoxy]-3-phenylchromen-4-one
CID 24202957

Frequently Asked Questions

What is the IUPAC name of [(Z)-(7-methoxy-2,3-dihydrochromen-4-ylidene)amino] 3-fluorobenzoate?
The IUPAC name of [(Z)-(7-methoxy-2,3-dihydrochromen-4-ylidene)amino] 3-fluorobenzoate (CID 5347199) is [(Z)-(7-methoxy-2,3-dihydrochromen-4-ylidene)amino] 3-fluorobenzoate.
What is the SMILES notation for [(Z)-(7-methoxy-2,3-dihydrochromen-4-ylidene)amino] 3-fluorobenzoate?
The canonical SMILES for [(Z)-(7-methoxy-2,3-dihydrochromen-4-ylidene)amino] 3-fluorobenzoate is COc1ccc2c(c1)OCC/C2=N/OC(=O)c1cccc(F)c1.
What is the InChIKey of [(Z)-(7-methoxy-2,3-dihydrochromen-4-ylidene)amino] 3-fluorobenzoate?
The InChIKey is QWCXLQXELPZPPC-CYVLTUHYSA-N. The full InChI is InChI=1S/C17H14FNO4/c1-21-13-5-6-14-15(7-8-22-16(14)10-13)19-23-17(20)11-3-2-4-12(18)9-11/h2-6,9-10H,7-8H2,1H3/b19-15-.
What are the key properties of [(Z)-(7-methoxy-2,3-dihydrochromen-4-ylidene)amino] 3-fluorobenzoate?
[(Z)-(7-methoxy-2,3-dihydrochromen-4-ylidene)amino] 3-fluorobenzoate has a molecular weight of 315.30 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-(7-methoxy-2,3-dihydrochromen-4-ylidene)amino] 3-fluorobenzoate is sourced from PubChem (CID 5347199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).