4-fluoro-N-[3-fluoro-5-(4-morpholin-4-ylcyclohexyl)phenyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide

C26H31F2N3O2 — CID 146394848

IUPAC4-fluoro-N-[3-fluoro-5-(4-morpholin-4-ylcyclohexyl)phenyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
SMILESCc1ccc(F)c2c1NC(C(=O)Nc1cc(F)cc(C3CCC(N4CCOCC4)CC3)c1)C2
InChIInChI=1S/C26H31F2N3O2/c1-16-2-7-23(28)22-15-24(30-25(16)22)26(32)29-20-13-18(12-19(27)14-20)17-3-5-21(6-4-17)31-8-10-33-11-9-31/h2,7,12-14,17,21,24,30H,3-6,8-11,15H2,1H3,(H,29,32)
InChIKeyNELQTUVHPQLJNA-UHFFFAOYSA-N
MW455.55 g/mol
LogP4.61
Rot. Bonds4

About 4-fluoro-N-[3-fluoro-5-(4-morpholin-4-ylcyclohexyl)phenyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide

4-fluoro-N-[3-fluoro-5-(4-morpholin-4-ylcyclohexyl)phenyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 146394848) has the molecular formula C26H31F2N3O2 and a molecular weight of 455.55 g/mol. Its IUPAC name is 4-fluoro-N-[3-fluoro-5-(4-morpholin-4-ylcyclohexyl)phenyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound Name4-fluoro-N-[3-fluoro-5-(4-morpholin-4-ylcyclohexyl)phenyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID146394848
Molecular FormulaC26H31F2N3O2
Molecular Weight455.55 g/mol
Exact Mass455.24
IUPAC Name4-fluoro-N-[3-fluoro-5-(4-morpholin-4-ylcyclohexyl)phenyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
SMILESCc1ccc(F)c2c1NC(C(=O)Nc1cc(F)cc(C3CCC(N4CCOCC4)CC3)c1)C2
InChIInChI=1S/C26H31F2N3O2/c1-16-2-7-23(28)22-15-24(30-25(16)22)26(32)29-20-13-18(12-19(27)14-20)17-3-5-21(6-4-17)31-8-10-33-11-9-31/h2,7,12-14,17,21,24,30H,3-6,8-11,15H2,1H3,(H,29,32)
InChIKeyNELQTUVHPQLJNA-UHFFFAOYSA-N
XLogP4.61
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.55
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-fluoro-N-[3-fluoro-5-(4-morpholin-4-ylcyclohexyl)phenyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide with MolForge

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Related Compounds

4-fluoro-7-methyl-N-[3-[4-(oxan-4-yl)piperazin-1-yl]phenyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 146395048
N-[3-chloro-5-[4-(dimethylamino)cyclohexyl]phenyl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 146394576
4-fluoro-7-methyl-N-[3-(oxetan-3-yl)phenyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 146394683
N-[3-(4-acetyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl)-5-fluorophenyl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 146395435
N-[3-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-5-fluorophenyl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 146394730
N-[3-(difluoromethyl)-5-[4-(dimethylamino)piperidin-1-yl]phenyl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 146394887
4-fluoro-7-methyl-N-[3-(3-methylimidazolidin-4-yl)phenyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 146395040
N-[3-(4-acetylpiperazin-1-yl)phenyl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 146394733
N-[3-(1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyridin-3-yl)phenyl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 146643336
4-fluoro-7-methyl-N-[3-(pyrrolidine-2-carbonylamino)phenyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 146395559
N-[3-(2-cyclopropylmorpholin-4-yl)phenyl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 146394809
4-fluoro-7-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 146644349

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[3-fluoro-5-(4-morpholin-4-ylcyclohexyl)phenyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of 4-fluoro-N-[3-fluoro-5-(4-morpholin-4-ylcyclohexyl)phenyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide (CID 146394848) is 4-fluoro-N-[3-fluoro-5-(4-morpholin-4-ylcyclohexyl)phenyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for 4-fluoro-N-[3-fluoro-5-(4-morpholin-4-ylcyclohexyl)phenyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for 4-fluoro-N-[3-fluoro-5-(4-morpholin-4-ylcyclohexyl)phenyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide is Cc1ccc(F)c2c1NC(C(=O)Nc1cc(F)cc(C3CCC(N4CCOCC4)CC3)c1)C2.
What is the InChIKey of 4-fluoro-N-[3-fluoro-5-(4-morpholin-4-ylcyclohexyl)phenyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is NELQTUVHPQLJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31F2N3O2/c1-16-2-7-23(28)22-15-24(30-25(16)22)26(32)29-20-13-18(12-19(27)14-20)17-3-5-21(6-4-17)31-8-10-33-11-9-31/h2,7,12-14,17,21,24,30H,3-6,8-11,15H2,1H3,(H,29,32).
What are the key properties of 4-fluoro-N-[3-fluoro-5-(4-morpholin-4-ylcyclohexyl)phenyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide?
4-fluoro-N-[3-fluoro-5-(4-morpholin-4-ylcyclohexyl)phenyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 455.55 g/mol, XLogP of 4.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[3-fluoro-5-(4-morpholin-4-ylcyclohexyl)phenyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 146394848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).