1-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-3-[(4-methylphenyl)methyl]urea

C24H23N3O2 — CID 60614335

IUPAC1-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-3-[(4-methylphenyl)methyl]urea
SMILESCc1ccc(CNC(=O)Nc2cccc(C(=O)N3CCc4ccccc43)c2)cc1
InChIInChI=1S/C24H23N3O2/c1-17-9-11-18(12-10-17)16-25-24(29)26-21-7-4-6-20(15-21)23(28)27-14-13-19-5-2-3-8-22(19)27/h2-12,15H,13-14,16H2,1H3,(H2,25,26,29)
InChIKeyDHFFDDJUMZATKG-UHFFFAOYSA-N
MW385.47 g/mol
LogP4.52
Rot. Bonds4

About 1-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-3-[(4-methylphenyl)methyl]urea

1-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-3-[(4-methylphenyl)methyl]urea (PubChem CID 60614335) has the molecular formula C24H23N3O2 and a molecular weight of 385.47 g/mol. Its IUPAC name is 1-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-3-[(4-methylphenyl)methyl]urea.

Molecular Properties

Compound Name1-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-3-[(4-methylphenyl)methyl]urea
PubChem CID60614335
Molecular FormulaC24H23N3O2
Molecular Weight385.47 g/mol
Exact Mass385.18
IUPAC Name1-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-3-[(4-methylphenyl)methyl]urea
SMILESCc1ccc(CNC(=O)Nc2cccc(C(=O)N3CCc4ccccc43)c2)cc1
InChIInChI=1S/C24H23N3O2/c1-17-9-11-18(12-10-17)16-25-24(29)26-21-7-4-6-20(15-21)23(28)27-14-13-19-5-2-3-8-22(19)27/h2-12,15H,13-14,16H2,1H3,(H2,25,26,29)
InChIKeyDHFFDDJUMZATKG-UHFFFAOYSA-N
XLogP4.52
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-3-(2-hydroxyethyl)urea
CID 60614369
N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]acetamide
CID 26290520
1-[(1-benzoyl-2,3-dihydroindol-6-yl)methyl]-3-(3,4-dimethylphenyl)urea
CID 53043814
1-(4-chlorophenyl)-3-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]urea
CID 53099712
1-(3-fluoro-4-methylphenyl)-3-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]urea
CID 53099751
1-[(1-benzoyl-2,3-dihydroindol-6-yl)methyl]-3-(3-methylsulfanylphenyl)urea
CID 53099544
1-(4-methoxyphenyl)-3-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]urea
CID 53099728
1-(2-ethylphenyl)-3-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]urea
CID 53099740
1-(2-chlorophenyl)-3-[[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]urea
CID 53099435
3-(2,3-dihydroindole-1-carbonyl)-N-(pyridin-4-ylmethyl)benzamide
CID 109055189
1-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea
CID 60614581
4-(aminomethyl)-N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]oxane-4-carboxamide
CID 120929329

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-3-[(4-methylphenyl)methyl]urea?
The IUPAC name of 1-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-3-[(4-methylphenyl)methyl]urea (CID 60614335) is 1-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-3-[(4-methylphenyl)methyl]urea.
What is the SMILES notation for 1-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-3-[(4-methylphenyl)methyl]urea?
The canonical SMILES for 1-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-3-[(4-methylphenyl)methyl]urea is Cc1ccc(CNC(=O)Nc2cccc(C(=O)N3CCc4ccccc43)c2)cc1.
What is the InChIKey of 1-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-3-[(4-methylphenyl)methyl]urea?
The InChIKey is DHFFDDJUMZATKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2/c1-17-9-11-18(12-10-17)16-25-24(29)26-21-7-4-6-20(15-21)23(28)27-14-13-19-5-2-3-8-22(19)27/h2-12,15H,13-14,16H2,1H3,(H2,25,26,29).
What are the key properties of 1-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-3-[(4-methylphenyl)methyl]urea?
1-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-3-[(4-methylphenyl)methyl]urea has a molecular weight of 385.47 g/mol, XLogP of 4.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-3-[(4-methylphenyl)methyl]urea is sourced from PubChem (CID 60614335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).