N-[2-(dimethylamino)ethyl]-N-[4-[[(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]propanamide

C28H29FN4O2 — CID 90727754

IUPACN-[2-(dimethylamino)ethyl]-N-[4-[[(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]propanamide
SMILESCCC(=O)N(CCN(C)C)c1ccc(/N=C(\c2ccccc2)C2C(=O)Nc3cc(F)ccc32)cc1
InChIInChI=1S/C28H29FN4O2/c1-4-25(34)33(17-16-32(2)3)22-13-11-21(12-14-22)30-27(19-8-6-5-7-9-19)26-23-15-10-20(29)18-24(23)31-28(26)35/h5-15,18,26H,4,16-17H2,1-3H3,(H,31,35)/b30-27+
InChIKeyPXHOPAMSMNEXDI-KDJFERLWSA-N
MW472.56 g/mol
LogP4.99
Rot. Bonds8

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

N-[2-(dimethylamino)ethyl]-N-[4-[[(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]propanamide (PubChem CID 90727754) has the molecular formula C28H29FN4O2 and a molecular weight of 472.56 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-[4-[[(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]propanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-[4-[[(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]propanamide
PubChem CID90727754
Molecular FormulaC28H29FN4O2
Molecular Weight472.56 g/mol
Exact Mass472.23
IUPAC NameN-[2-(dimethylamino)ethyl]-N-[4-[[(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]propanamide
SMILESCCC(=O)N(CCN(C)C)c1ccc(/N=C(\c2ccccc2)C2C(=O)Nc3cc(F)ccc32)cc1
InChIInChI=1S/C28H29FN4O2/c1-4-25(34)33(17-16-32(2)3)22-13-11-21(12-14-22)30-27(19-8-6-5-7-9-19)26-23-15-10-20(29)18-24(23)31-28(26)35/h5-15,18,26H,4,16-17H2,1-3H3,(H,31,35)/b30-27+
InChIKeyPXHOPAMSMNEXDI-KDJFERLWSA-N
XLogP4.99
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.56
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-[4-[[(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]propanamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-[4-[[(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]propanamide (CID 90727754) is N-[2-(dimethylamino)ethyl]-N-[4-[[(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]propanamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-[4-[[(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]propanamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-[4-[[(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]propanamide is CCC(=O)N(CCN(C)C)c1ccc(/N=C(\c2ccccc2)C2C(=O)Nc3cc(F)ccc32)cc1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-[4-[[(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]propanamide?
The InChIKey is PXHOPAMSMNEXDI-KDJFERLWSA-N. The full InChI is InChI=1S/C28H29FN4O2/c1-4-25(34)33(17-16-32(2)3)22-13-11-21(12-14-22)30-27(19-8-6-5-7-9-19)26-23-15-10-20(29)18-24(23)31-28(26)35/h5-15,18,26H,4,16-17H2,1-3H3,(H,31,35)/b30-27+.
What are the key properties of N-[2-(dimethylamino)ethyl]-N-[4-[[(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]propanamide?
N-[2-(dimethylamino)ethyl]-N-[4-[[(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]propanamide has a molecular weight of 472.56 g/mol, XLogP of 4.99, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N-[4-[[(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]propanamide is sourced from PubChem (CID 90727754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).