N-[(7-fluoro-2,3-dihydrochromen-4-ylidene)amino]propanamide

C12H13FN2O2 — CID 134557137

IUPACN-[(7-fluoro-2,3-dihydrochromen-4-ylidene)amino]propanamide
SMILESCCC(=O)NN=C1CCOc2cc(F)ccc21
InChIInChI=1S/C12H13FN2O2/c1-2-12(16)15-14-10-5-6-17-11-7-8(13)3-4-9(10)11/h3-4,7H,2,5-6H2,1H3,(H,15,16)
InChIKeyFBTFNBYVFJOULG-UHFFFAOYSA-N
MW236.25 g/mol
LogP1.84
Rot. Bonds2

About N-[(7-fluoro-2,3-dihydrochromen-4-ylidene)amino]propanamide

N-[(7-fluoro-2,3-dihydrochromen-4-ylidene)amino]propanamide (PubChem CID 134557137) has the molecular formula C12H13FN2O2 and a molecular weight of 236.25 g/mol. Its IUPAC name is N-[(7-fluoro-2,3-dihydrochromen-4-ylidene)amino]propanamide.

Molecular Properties

Compound NameN-[(7-fluoro-2,3-dihydrochromen-4-ylidene)amino]propanamide
PubChem CID134557137
Molecular FormulaC12H13FN2O2
Molecular Weight236.25 g/mol
Exact Mass236.10
IUPAC NameN-[(7-fluoro-2,3-dihydrochromen-4-ylidene)amino]propanamide
SMILESCCC(=O)NN=C1CCOc2cc(F)ccc21
InChIInChI=1S/C12H13FN2O2/c1-2-12(16)15-14-10-5-6-17-11-7-8(13)3-4-9(10)11/h3-4,7H,2,5-6H2,1H3,(H,15,16)
InChIKeyFBTFNBYVFJOULG-UHFFFAOYSA-N
XLogP1.84
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-fluoro-6,7-dihydrobenzo[d][1]benzoxepin-9-yl)propan-1-one
CID 171048804
4-[[4-[(3-methyl-3-sulfanylbutanoyl)hydrazinylidene]-2,3-dihydrochromen-7-yl]oxy]butanoic acid
CID 142606286
1-[(6-fluoro-2,3-dihydrochromen-4-ylidene)amino]-3-phenylthiourea
CID 5138245
N-[(7,8-difluoro-2,3-dihydrochromen-4-ylidene)amino]-4-methylbenzamide
CID 175481764
N-[(Z)-2,3-dihydrochromen-4-ylideneamino]cyclohexanecarboxamide
CID 9465772
tert-butyl N-[(Z)-2,3-dihydrochromen-4-ylideneamino]carbamate
CID 8972503
[(7-bromo-2,3-dihydrochromen-4-ylidene)amino]thiourea
CID 91410710
N-[(E)-(8-methyl-2,3-dihydrochromen-4-ylidene)amino]-2-(3-methylphenoxy)acetamide
CID 90481723
N-[(E)-2,3-dihydrochromen-4-ylideneamino]-2-(3-nitrophenoxy)acetamide
CID 117071561
(4E)-4-[(4-fluorophenyl)hydrazinylidene]-7,8-dimethyl-2,3-dihydro-1-benzoxepin-5-one
CID 5466100
N-[(Z)-(6-methoxy-1-benzofuran-3-ylidene)amino]-2-(2-methylphenoxy)acetamide
CID 90481683
N-(2,3-dihydrochromen-4-ylideneamino)-2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)acetamide
CID 9177345

Frequently Asked Questions

What is the IUPAC name of N-[(7-fluoro-2,3-dihydrochromen-4-ylidene)amino]propanamide?
The IUPAC name of N-[(7-fluoro-2,3-dihydrochromen-4-ylidene)amino]propanamide (CID 134557137) is N-[(7-fluoro-2,3-dihydrochromen-4-ylidene)amino]propanamide.
What is the SMILES notation for N-[(7-fluoro-2,3-dihydrochromen-4-ylidene)amino]propanamide?
The canonical SMILES for N-[(7-fluoro-2,3-dihydrochromen-4-ylidene)amino]propanamide is CCC(=O)NN=C1CCOc2cc(F)ccc21.
What is the InChIKey of N-[(7-fluoro-2,3-dihydrochromen-4-ylidene)amino]propanamide?
The InChIKey is FBTFNBYVFJOULG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O2/c1-2-12(16)15-14-10-5-6-17-11-7-8(13)3-4-9(10)11/h3-4,7H,2,5-6H2,1H3,(H,15,16).
What are the key properties of N-[(7-fluoro-2,3-dihydrochromen-4-ylidene)amino]propanamide?
N-[(7-fluoro-2,3-dihydrochromen-4-ylidene)amino]propanamide has a molecular weight of 236.25 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-fluoro-2,3-dihydrochromen-4-ylidene)amino]propanamide is sourced from PubChem (CID 134557137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).