N-[(7,8-difluoro-2,3-dihydrochromen-4-ylidene)amino]-4-methylbenzamide

C17H14F2N2O2 — CID 175481764

IUPACN-[(7,8-difluoro-2,3-dihydrochromen-4-ylidene)amino]-4-methylbenzamide
SMILESCc1ccc(C(=O)NN=C2CCOc3c2ccc(F)c3F)cc1
InChIInChI=1S/C17H14F2N2O2/c1-10-2-4-11(5-3-10)17(22)21-20-14-8-9-23-16-12(14)6-7-13(18)15(16)19/h2-7H,8-9H2,1H3,(H,21,22)
InChIKeyBTMGABWPFVTGBG-UHFFFAOYSA-N
MW316.31 g/mol
LogP3.19
Rot. Bonds2

About N-[(7,8-difluoro-2,3-dihydrochromen-4-ylidene)amino]-4-methylbenzamide

N-[(7,8-difluoro-2,3-dihydrochromen-4-ylidene)amino]-4-methylbenzamide (PubChem CID 175481764) has the molecular formula C17H14F2N2O2 and a molecular weight of 316.31 g/mol. Its IUPAC name is N-[(7,8-difluoro-2,3-dihydrochromen-4-ylidene)amino]-4-methylbenzamide.

Molecular Properties

Compound NameN-[(7,8-difluoro-2,3-dihydrochromen-4-ylidene)amino]-4-methylbenzamide
PubChem CID175481764
Molecular FormulaC17H14F2N2O2
Molecular Weight316.31 g/mol
Exact Mass316.10
IUPAC NameN-[(7,8-difluoro-2,3-dihydrochromen-4-ylidene)amino]-4-methylbenzamide
SMILESCc1ccc(C(=O)NN=C2CCOc3c2ccc(F)c3F)cc1
InChIInChI=1S/C17H14F2N2O2/c1-10-2-4-11(5-3-10)17(22)21-20-14-8-9-23-16-12(14)6-7-13(18)15(16)19/h2-7H,8-9H2,1H3,(H,21,22)
InChIKeyBTMGABWPFVTGBG-UHFFFAOYSA-N
XLogP3.19
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 53.19
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

N-[(7,8-difluoro-2,3-dihydrochromen-4-ylidene)amino]-4-methylbenzenesulfonamide
CID 174143733
N-[(Z)-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ylidene]amino]-4-methylbenzamide
CID 9175166
N-[(4-ethylcyclohexylidene)amino]-4-methylbenzamide
CID 3680636
N-[(7-fluoro-2,3-dihydrochromen-4-ylidene)amino]propanamide
CID 134557137
4-methyl-N-(2,3,4-trifluorophenyl)benzamide
CID 2110476
N-[(5,7-dimethyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-4-hydroxybenzamide
CID 4838886
(4E)-N-(4-fluorophenyl)-3-methyl-4-[(4-methylbenzoyl)hydrazinylidene]-6,7-dihydro-5H-1-benzofuran-2-carboxamide
CID 19155319
4-methyl-N-[(Z)-[(5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]benzamide
CID 5410881
N-(2-fluoro-5-methylphenyl)-4-methylbenzamide
CID 7718843
N-[(Z)-(4-fluorophenyl)methylideneamino]-4-methylbenzamide
CID 5405739
(4E)-4-[(4-chlorobenzoyl)hydrazinylidene]-3-methyl-N-(4-methylphenyl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide
CID 19155819
N-[(Z)-2,3-dihydroinden-1-ylideneamino]-4-hydroxybenzamide
CID 6517128

Frequently Asked Questions

What is the IUPAC name of N-[(7,8-difluoro-2,3-dihydrochromen-4-ylidene)amino]-4-methylbenzamide?
The IUPAC name of N-[(7,8-difluoro-2,3-dihydrochromen-4-ylidene)amino]-4-methylbenzamide (CID 175481764) is N-[(7,8-difluoro-2,3-dihydrochromen-4-ylidene)amino]-4-methylbenzamide.
What is the SMILES notation for N-[(7,8-difluoro-2,3-dihydrochromen-4-ylidene)amino]-4-methylbenzamide?
The canonical SMILES for N-[(7,8-difluoro-2,3-dihydrochromen-4-ylidene)amino]-4-methylbenzamide is Cc1ccc(C(=O)NN=C2CCOc3c2ccc(F)c3F)cc1.
What is the InChIKey of N-[(7,8-difluoro-2,3-dihydrochromen-4-ylidene)amino]-4-methylbenzamide?
The InChIKey is BTMGABWPFVTGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N2O2/c1-10-2-4-11(5-3-10)17(22)21-20-14-8-9-23-16-12(14)6-7-13(18)15(16)19/h2-7H,8-9H2,1H3,(H,21,22).
What are the key properties of N-[(7,8-difluoro-2,3-dihydrochromen-4-ylidene)amino]-4-methylbenzamide?
N-[(7,8-difluoro-2,3-dihydrochromen-4-ylidene)amino]-4-methylbenzamide has a molecular weight of 316.31 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7,8-difluoro-2,3-dihydrochromen-4-ylidene)amino]-4-methylbenzamide is sourced from PubChem (CID 175481764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).