N-[4-[[(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]-2-imidazol-1-yl-N-methylacetamide

C27H22FN5O2 — CID 90985469

IUPACN-[4-[[(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]-2-imidazol-1-yl-N-methylacetamide
SMILESCN(C(=O)Cn1ccnc1)c1ccc(/N=C(\c2ccccc2)C2C(=O)Nc3cc(F)ccc32)cc1
InChIInChI=1S/C27H22FN5O2/c1-32(24(34)16-33-14-13-29-17-33)21-10-8-20(9-11-21)30-26(18-5-3-2-4-6-18)25-22-12-7-19(28)15-23(22)31-27(25)35/h2-15,17,25H,16H2,1H3,(H,31,35)/b30-26+
InChIKeyQGYMESLUPWFXKT-URGPHPNLSA-N
MW467.50 g/mol
LogP4.54
Rot. Bonds6

About N-[4-[[(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]-2-imidazol-1-yl-N-methylacetamide

N-[4-[[(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]-2-imidazol-1-yl-N-methylacetamide (PubChem CID 90985469) has the molecular formula C27H22FN5O2 and a molecular weight of 467.50 g/mol. Its IUPAC name is N-[4-[[(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]-2-imidazol-1-yl-N-methylacetamide.

Molecular Properties

Compound NameN-[4-[[(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]-2-imidazol-1-yl-N-methylacetamide
PubChem CID90985469
Molecular FormulaC27H22FN5O2
Molecular Weight467.50 g/mol
Exact Mass467.18
IUPAC NameN-[4-[[(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]-2-imidazol-1-yl-N-methylacetamide
SMILESCN(C(=O)Cn1ccnc1)c1ccc(/N=C(\c2ccccc2)C2C(=O)Nc3cc(F)ccc32)cc1
InChIInChI=1S/C27H22FN5O2/c1-32(24(34)16-33-14-13-29-17-33)21-10-8-20(9-11-21)30-26(18-5-3-2-4-6-18)25-22-12-7-19(28)15-23(22)31-27(25)35/h2-15,17,25H,16H2,1H3,(H,31,35)/b30-26+
InChIKeyQGYMESLUPWFXKT-URGPHPNLSA-N
XLogP4.54
TPSA79.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.50
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[N-[4-(diethylaminomethyl)phenyl]-C-phenylcarbonimidoyl]-6-fluoro-1,3-dihydroindol-2-one
CID 91495589
N-methyl-N-[4-[[(2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]-2-piperidin-1-ylacetamide
CID 91142119
N-[4-[[(6-chloro-2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]-N-methyl-2-(4-propylpiperazin-1-yl)acetamide
CID 90920764
2-[4-(2-aminoethyl)piperazin-1-yl]-N-[4-[[(6-chloro-2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]-N-methylacetamide
CID 91187464
2-[3-[N-[4-[5-(dimethylamino)pentanoyl-methylamino]phenyl]-C-(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)carbonimidoyl]phenyl]acetic acid
CID 91032605
methyl 3-[3-[N-[4-[[2-(dimethylamino)acetyl]-methylamino]phenyl]-C-(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)carbonimidoyl]phenyl]propanoate
CID 91356532
N-[4-[[2,3-dihydro-1-benzofuran-6-yl-(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)methylidene]amino]phenyl]-N-methyl-2-(4-methylpiperazin-1-yl)acetamide
CID 91089748
3-[N-[4-[[bis(2-hydroxyethyl)amino]methyl]phenyl]-C-phenylcarbonimidoyl]-6-fluoro-1,3-dihydroindol-2-one
CID 90822103
2-chloro-N-methyl-N-[4-[[[2-oxo-6-[2-(propan-2-ylamino)pyrimidin-5-yl]-1,3-dihydroindol-3-yl]-phenylmethylidene]amino]phenyl]acetamide
CID 91106451
3-amino-N-[4-[[(5,6-diethoxy-2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]-N-methylpropanamide
CID 91239726
2-[4-[[(6-chloro-2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]-N,N-dimethylacetamide
CID 91148036
methyl 3-[4-[C-(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)-N-phenylcarbonimidoyl]phenyl]propanoate
CID 91469207

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]-2-imidazol-1-yl-N-methylacetamide?
The IUPAC name of N-[4-[[(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]-2-imidazol-1-yl-N-methylacetamide (CID 90985469) is N-[4-[[(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]-2-imidazol-1-yl-N-methylacetamide.
What is the SMILES notation for N-[4-[[(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]-2-imidazol-1-yl-N-methylacetamide?
The canonical SMILES for N-[4-[[(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]-2-imidazol-1-yl-N-methylacetamide is CN(C(=O)Cn1ccnc1)c1ccc(/N=C(\c2ccccc2)C2C(=O)Nc3cc(F)ccc32)cc1.
What is the InChIKey of N-[4-[[(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]-2-imidazol-1-yl-N-methylacetamide?
The InChIKey is QGYMESLUPWFXKT-URGPHPNLSA-N. The full InChI is InChI=1S/C27H22FN5O2/c1-32(24(34)16-33-14-13-29-17-33)21-10-8-20(9-11-21)30-26(18-5-3-2-4-6-18)25-22-12-7-19(28)15-23(22)31-27(25)35/h2-15,17,25H,16H2,1H3,(H,31,35)/b30-26+.
What are the key properties of N-[4-[[(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]-2-imidazol-1-yl-N-methylacetamide?
N-[4-[[(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]-2-imidazol-1-yl-N-methylacetamide has a molecular weight of 467.50 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]-2-imidazol-1-yl-N-methylacetamide is sourced from PubChem (CID 90985469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).