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

C24H29ClFN3O — CID 146394576

IUPACN-[3-chloro-5-[4-(dimethylamino)cyclohexyl]phenyl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
SMILESCc1ccc(F)c2c1NC(C(=O)Nc1cc(Cl)cc(C3CCC(N(C)C)CC3)c1)C2
InChIInChI=1S/C24H29ClFN3O/c1-14-4-9-21(26)20-13-22(28-23(14)20)24(30)27-18-11-16(10-17(25)12-18)15-5-7-19(8-6-15)29(2)3/h4,9-12,15,19,22,28H,5-8,13H2,1-3H3,(H,27,30)
InChIKeyVWAMVFTZJBRHJF-UHFFFAOYSA-N
MW429.97 g/mol
LogP5.35
Rot. Bonds4

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

N-[3-chloro-5-[4-(dimethylamino)cyclohexyl]phenyl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 146394576) has the molecular formula C24H29ClFN3O and a molecular weight of 429.97 g/mol. Its IUPAC name is N-[3-chloro-5-[4-(dimethylamino)cyclohexyl]phenyl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-5-[4-(dimethylamino)cyclohexyl]phenyl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID146394576
Molecular FormulaC24H29ClFN3O
Molecular Weight429.97 g/mol
Exact Mass429.20
IUPAC NameN-[3-chloro-5-[4-(dimethylamino)cyclohexyl]phenyl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
SMILESCc1ccc(F)c2c1NC(C(=O)Nc1cc(Cl)cc(C3CCC(N(C)C)CC3)c1)C2
InChIInChI=1S/C24H29ClFN3O/c1-14-4-9-21(26)20-13-22(28-23(14)20)24(30)27-18-11-16(10-17(25)12-18)15-5-7-19(8-6-15)29(2)3/h4,9-12,15,19,22,28H,5-8,13H2,1-3H3,(H,27,30)
InChIKeyVWAMVFTZJBRHJF-UHFFFAOYSA-N
XLogP5.35
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.97
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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-N-[3-fluoro-5-(4-morpholin-4-ylcyclohexyl)phenyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 146394848
4-fluoro-7-methyl-N-[3-(oxetan-3-yl)phenyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 146394683
4-fluoro-7-methyl-N-(3-pyrazolidin-3-ylphenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 146643765
N-[3-[(3S,4S)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]phenyl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 146394716
4-fluoro-7-methyl-N-[3-(3-methylimidazolidin-4-yl)phenyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 146395040
4-fluoro-7-methyl-N-[3-(pyrrolidine-2-carbonylamino)phenyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 146395559
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-(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-[bis(2-hydroxyethyl)amino]piperidin-1-yl]phenyl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 146643349
4-fluoro-N-[3-[4-(hydroxymethyl)phenyl]phenyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 146394912
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

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-5-[4-(dimethylamino)cyclohexyl]phenyl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of N-[3-chloro-5-[4-(dimethylamino)cyclohexyl]phenyl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide (CID 146394576) is N-[3-chloro-5-[4-(dimethylamino)cyclohexyl]phenyl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for N-[3-chloro-5-[4-(dimethylamino)cyclohexyl]phenyl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for N-[3-chloro-5-[4-(dimethylamino)cyclohexyl]phenyl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide is Cc1ccc(F)c2c1NC(C(=O)Nc1cc(Cl)cc(C3CCC(N(C)C)CC3)c1)C2.
What is the InChIKey of N-[3-chloro-5-[4-(dimethylamino)cyclohexyl]phenyl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is VWAMVFTZJBRHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClFN3O/c1-14-4-9-21(26)20-13-22(28-23(14)20)24(30)27-18-11-16(10-17(25)12-18)15-5-7-19(8-6-15)29(2)3/h4,9-12,15,19,22,28H,5-8,13H2,1-3H3,(H,27,30).
What are the key properties of N-[3-chloro-5-[4-(dimethylamino)cyclohexyl]phenyl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide?
N-[3-chloro-5-[4-(dimethylamino)cyclohexyl]phenyl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 429.97 g/mol, XLogP of 5.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-5-[4-(dimethylamino)cyclohexyl]phenyl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 146394576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).