N-(3-chloro-4-methylphenyl)-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide

C19H21ClN2O2 — CID 43018595

IUPACN-(3-chloro-4-methylphenyl)-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide
SMILESCc1ccc(NC(=O)c2[nH]c3c(c2C)C(=O)CC(C)(C)C3)cc1Cl
InChIInChI=1S/C19H21ClN2O2/c1-10-5-6-12(7-13(10)20)21-18(24)17-11(2)16-14(22-17)8-19(3,4)9-15(16)23/h5-7,22H,8-9H2,1-4H3,(H,21,24)
InChIKeyDABIPBNYJAPWAU-UHFFFAOYSA-N
MW344.84 g/mol
LogP4.69
Rot. Bonds2

About N-(3-chloro-4-methylphenyl)-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide

N-(3-chloro-4-methylphenyl)-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide (PubChem CID 43018595) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide
PubChem CID43018595
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC NameN-(3-chloro-4-methylphenyl)-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide
SMILESCc1ccc(NC(=O)c2[nH]c3c(c2C)C(=O)CC(C)(C)C3)cc1Cl
InChIInChI=1S/C19H21ClN2O2/c1-10-5-6-12(7-13(10)20)21-18(24)17-11(2)16-14(22-17)8-19(3,4)9-15(16)23/h5-7,22H,8-9H2,1-4H3,(H,21,24)
InChIKeyDABIPBNYJAPWAU-UHFFFAOYSA-N
XLogP4.69
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-iodo-4-methylphenyl)-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide
CID 43020407
N-(1,3-benzodioxol-5-yl)-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide
CID 36676045
N-(5-tert-butyl-2-hydroxyphenyl)-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide
CID 24540370
3,6,6-trimethyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-4-oxo-5,7-dihydro-1H-indole-2-carboxamide
CID 128938807
3,6,6-trimethyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-4-oxo-5,7-dihydro-1H-indole-2-carboxamide
CID 24617769
3,6,6-trimethyl-4-oxo-N-[3-(1-phenylethoxy)propyl]-5,7-dihydro-1H-indole-2-carboxamide
CID 24678094
2-methoxyethyl 5-[(3-chloro-4-methylphenyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 46487863
N-(3-chloro-4-methylphenyl)-7-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 66495570
5-acetamido-2-chloro-N-(3-chloro-4-methylphenyl)benzamide
CID 885622
N-[4-cyclopropyl-1-[4-[(dimethylamino)methyl]anilino]-1-oxobutan-2-yl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide
CID 170262879
3,6,6-trimethyl-4-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-5,7-dihydro-1H-indole-2-carboxamide
CID 9120452
N-[1-[[cyclopropyl(phenyl)methyl]amino]-1-oxohexan-2-yl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide
CID 170264245

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide (CID 43018595) is N-(3-chloro-4-methylphenyl)-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide is Cc1ccc(NC(=O)c2[nH]c3c(c2C)C(=O)CC(C)(C)C3)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide?
The InChIKey is DABIPBNYJAPWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c1-10-5-6-12(7-13(10)20)21-18(24)17-11(2)16-14(22-17)8-19(3,4)9-15(16)23/h5-7,22H,8-9H2,1-4H3,(H,21,24).
What are the key properties of N-(3-chloro-4-methylphenyl)-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide?
N-(3-chloro-4-methylphenyl)-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide has a molecular weight of 344.84 g/mol, XLogP of 4.69, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 43018595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).