1-[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]-3-(2-methylphenyl)urea

C24H23N3O2 — CID 46384359

IUPAC1-[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]-3-(2-methylphenyl)urea
SMILESCc1ccc(C(=O)N2CCc3ccc(NC(=O)Nc4ccccc4C)cc32)cc1
InChIInChI=1S/C24H23N3O2/c1-16-7-9-19(10-8-16)23(28)27-14-13-18-11-12-20(15-22(18)27)25-24(29)26-21-6-4-3-5-17(21)2/h3-12,15H,13-14H2,1-2H3,(H2,25,26,29)
InChIKeyQKXHXQCYPJFQPF-UHFFFAOYSA-N
MW385.47 g/mol
LogP5.15
Rot. Bonds3

About 1-[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]-3-(2-methylphenyl)urea

1-[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]-3-(2-methylphenyl)urea (PubChem CID 46384359) has the molecular formula C24H23N3O2 and a molecular weight of 385.47 g/mol. Its IUPAC name is 1-[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]-3-(2-methylphenyl)urea.

Molecular Properties

Compound Name1-[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]-3-(2-methylphenyl)urea
PubChem CID46384359
Molecular FormulaC24H23N3O2
Molecular Weight385.47 g/mol
Exact Mass385.18
IUPAC Name1-[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]-3-(2-methylphenyl)urea
SMILESCc1ccc(C(=O)N2CCc3ccc(NC(=O)Nc4ccccc4C)cc32)cc1
InChIInChI=1S/C24H23N3O2/c1-16-7-9-19(10-8-16)23(28)27-14-13-18-11-12-20(15-22(18)27)25-24(29)26-21-6-4-3-5-17(21)2/h3-12,15H,13-14H2,1-2H3,(H2,25,26,29)
InChIKeyQKXHXQCYPJFQPF-UHFFFAOYSA-N
XLogP5.15
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.47
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dimethylphenyl)-3-[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]urea
CID 46384350
1-(2,5-difluorophenyl)-3-[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]urea
CID 46384382
1-(3-methoxyphenyl)-3-[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]urea
CID 46384342
1-(1-benzoyl-2,3-dihydroindol-6-yl)-3-phenylurea
CID 46384404
1-(1,3-benzodioxol-5-yl)-3-[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]urea
CID 46384390
1-(2-methylphenyl)-3-(1-methylsulfonyl-2,3-dihydroindol-6-yl)urea
CID 46386198
1-(1-benzoyl-2,3-dihydroindol-6-yl)-3-(2,5-difluorophenyl)urea
CID 46384443
1-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-3-(2-methoxyphenyl)urea
CID 30372555
ethyl (3S)-3-[[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]carbamoylamino]-3-phenylpropanoate
CID 92882087
1-(2-chlorophenyl)-3-[[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]urea
CID 53099435
1-(1-benzoyl-2,3-dihydroindol-6-yl)-3-(5-chloro-2,4-dimethoxyphenyl)urea
CID 46384423
4-(2,3-dihydroindole-1-carbonyl)-N-(2,4-dimethylphenyl)benzamide
CID 109049527

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]-3-(2-methylphenyl)urea?
The IUPAC name of 1-[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]-3-(2-methylphenyl)urea (CID 46384359) is 1-[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]-3-(2-methylphenyl)urea.
What is the SMILES notation for 1-[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]-3-(2-methylphenyl)urea?
The canonical SMILES for 1-[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]-3-(2-methylphenyl)urea is Cc1ccc(C(=O)N2CCc3ccc(NC(=O)Nc4ccccc4C)cc32)cc1.
What is the InChIKey of 1-[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]-3-(2-methylphenyl)urea?
The InChIKey is QKXHXQCYPJFQPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2/c1-16-7-9-19(10-8-16)23(28)27-14-13-18-11-12-20(15-22(18)27)25-24(29)26-21-6-4-3-5-17(21)2/h3-12,15H,13-14H2,1-2H3,(H2,25,26,29).
What are the key properties of 1-[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]-3-(2-methylphenyl)urea?
1-[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]-3-(2-methylphenyl)urea has a molecular weight of 385.47 g/mol, XLogP of 5.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]-3-(2-methylphenyl)urea is sourced from PubChem (CID 46384359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).