1-(3-chlorophenyl)-3-[(2-oxo-1,3-dihydroindol-5-yl)methyl]urea

C16H14ClN3O2 — CID 110774980

IUPAC1-(3-chlorophenyl)-3-[(2-oxo-1,3-dihydroindol-5-yl)methyl]urea
SMILESO=C1Cc2cc(CNC(=O)Nc3cccc(Cl)c3)ccc2N1
InChIInChI=1S/C16H14ClN3O2/c17-12-2-1-3-13(8-12)19-16(22)18-9-10-4-5-14-11(6-10)7-15(21)20-14/h1-6,8H,7,9H2,(H,20,21)(H2,18,19,22)
InChIKeyTXVXLRKJXTVPNV-UHFFFAOYSA-N
MW315.76 g/mol
LogP3.16
Rot. Bonds3

About 1-(3-chlorophenyl)-3-[(2-oxo-1,3-dihydroindol-5-yl)methyl]urea

1-(3-chlorophenyl)-3-[(2-oxo-1,3-dihydroindol-5-yl)methyl]urea (PubChem CID 110774980) has the molecular formula C16H14ClN3O2 and a molecular weight of 315.76 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[(2-oxo-1,3-dihydroindol-5-yl)methyl]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[(2-oxo-1,3-dihydroindol-5-yl)methyl]urea
PubChem CID110774980
Molecular FormulaC16H14ClN3O2
Molecular Weight315.76 g/mol
Exact Mass315.08
IUPAC Name1-(3-chlorophenyl)-3-[(2-oxo-1,3-dihydroindol-5-yl)methyl]urea
SMILESO=C1Cc2cc(CNC(=O)Nc3cccc(Cl)c3)ccc2N1
InChIInChI=1S/C16H14ClN3O2/c17-12-2-1-3-13(8-12)19-16(22)18-9-10-4-5-14-11(6-10)7-15(21)20-14/h1-6,8H,7,9H2,(H,20,21)(H2,18,19,22)
InChIKeyTXVXLRKJXTVPNV-UHFFFAOYSA-N
XLogP3.16
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.76
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-3-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]urea
CID 110775786
1-(4-chlorophenyl)-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]urea
CID 110774999
1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]-3-phenylurea
CID 110774998
N-(3-chlorophenyl)-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide
CID 110768484
1-(3-chlorophenyl)-3-[[3-(hydroxymethyl)phenyl]methyl]urea
CID 63312020
N-[3-[(2-oxo-1,3-dihydroindol-5-yl)methyl]phenyl]acetamide
CID 170984996
1-[(3-bromophenyl)methyl]-3-(3-chlorophenyl)urea
CID 60969136
4-oxo-4-[(2-oxo-1,3-dihydroindol-5-yl)methylamino]butanoic acid
CID 82501019
1-(3-chlorophenyl)-3-[[4-(dimethylamino)phenyl]methyl]urea
CID 27869113
2-(4-methylphenyl)-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]acetamide
CID 110781350
5-[(2-hydroxyethylamino)methyl]-1,3-dihydroindol-2-one
CID 82470284
N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]cyclohexanecarboxamide
CID 110781277

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[(2-oxo-1,3-dihydroindol-5-yl)methyl]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[(2-oxo-1,3-dihydroindol-5-yl)methyl]urea (CID 110774980) is 1-(3-chlorophenyl)-3-[(2-oxo-1,3-dihydroindol-5-yl)methyl]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[(2-oxo-1,3-dihydroindol-5-yl)methyl]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[(2-oxo-1,3-dihydroindol-5-yl)methyl]urea is O=C1Cc2cc(CNC(=O)Nc3cccc(Cl)c3)ccc2N1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[(2-oxo-1,3-dihydroindol-5-yl)methyl]urea?
The InChIKey is TXVXLRKJXTVPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O2/c17-12-2-1-3-13(8-12)19-16(22)18-9-10-4-5-14-11(6-10)7-15(21)20-14/h1-6,8H,7,9H2,(H,20,21)(H2,18,19,22).
What are the key properties of 1-(3-chlorophenyl)-3-[(2-oxo-1,3-dihydroindol-5-yl)methyl]urea?
1-(3-chlorophenyl)-3-[(2-oxo-1,3-dihydroindol-5-yl)methyl]urea has a molecular weight of 315.76 g/mol, XLogP of 3.16, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[(2-oxo-1,3-dihydroindol-5-yl)methyl]urea is sourced from PubChem (CID 110774980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).