N-(4-chlorobenzoyl)-2,3-dihydroindole-1-carboxamide

C16H13ClN2O2 — CID 23992308

IUPACN-(4-chlorobenzoyl)-2,3-dihydroindole-1-carboxamide
SMILESO=C(NC(=O)N1CCc2ccccc21)c1ccc(Cl)cc1
InChIInChI=1S/C16H13ClN2O2/c17-13-7-5-12(6-8-13)15(20)18-16(21)19-10-9-11-3-1-2-4-14(11)19/h1-8H,9-10H2,(H,18,20,21)
InChIKeyYCOKOSOQSXOXTR-UHFFFAOYSA-N
MW300.75 g/mol
LogP3.25
Rot. Bonds1

About N-(4-chlorobenzoyl)-2,3-dihydroindole-1-carboxamide

N-(4-chlorobenzoyl)-2,3-dihydroindole-1-carboxamide (PubChem CID 23992308) has the molecular formula C16H13ClN2O2 and a molecular weight of 300.75 g/mol. Its IUPAC name is N-(4-chlorobenzoyl)-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound NameN-(4-chlorobenzoyl)-2,3-dihydroindole-1-carboxamide
PubChem CID23992308
Molecular FormulaC16H13ClN2O2
Molecular Weight300.75 g/mol
Exact Mass300.07
IUPAC NameN-(4-chlorobenzoyl)-2,3-dihydroindole-1-carboxamide
SMILESO=C(NC(=O)N1CCc2ccccc21)c1ccc(Cl)cc1
InChIInChI=1S/C16H13ClN2O2/c17-13-7-5-12(6-8-13)15(20)18-16(21)19-10-9-11-3-1-2-4-14(11)19/h1-8H,9-10H2,(H,18,20,21)
InChIKeyYCOKOSOQSXOXTR-UHFFFAOYSA-N
XLogP3.25
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzoyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 69369112
N-(2,3-dihydroindole-1-carbothioyl)-4-fluorobenzamide
CID 932733
N-(5-chloro-2-methylphenyl)-4-(2,3-dihydroindole-1-carbonyl)benzamide
CID 109049544
methyl 4-(2,3-dihydroindole-1-carbothioylcarbamoyl)benzoate
CID 17178494
2-(4-chlorophenyl)sulfanyl-1-(2,3-dihydroindol-1-yl)ethanone
CID 738382
N-(4-chlorobenzoyl)pyrrolidine-1-carboxamide
CID 6457135
N-(3,4-difluorophenyl)-4-(2,3-dihydroindole-1-carbonyl)benzamide
CID 109049570
2-[4-(4-chlorobenzoyl)phenoxy]-1-(2,3-dihydroindol-1-yl)ethanone
CID 7919205
N-(4-chlorophenyl)-5-(2,3-dihydroindole-1-carbonyl)pyridine-3-carboxamide
CID 109108143
N-(2-fluorophenyl)-2,3-dihydroindole-1-carboxamide
CID 6468631
4-(2,3-dihydroindole-1-carbonyl)-N-(2,3,4-trifluorophenyl)benzamide
CID 109049568
N-(3,4-difluorophenyl)-2,3-dihydroindole-1-carboxamide
CID 108991230

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorobenzoyl)-2,3-dihydroindole-1-carboxamide?
The IUPAC name of N-(4-chlorobenzoyl)-2,3-dihydroindole-1-carboxamide (CID 23992308) is N-(4-chlorobenzoyl)-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for N-(4-chlorobenzoyl)-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for N-(4-chlorobenzoyl)-2,3-dihydroindole-1-carboxamide is O=C(NC(=O)N1CCc2ccccc21)c1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorobenzoyl)-2,3-dihydroindole-1-carboxamide?
The InChIKey is YCOKOSOQSXOXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O2/c17-13-7-5-12(6-8-13)15(20)18-16(21)19-10-9-11-3-1-2-4-14(11)19/h1-8H,9-10H2,(H,18,20,21).
What are the key properties of N-(4-chlorobenzoyl)-2,3-dihydroindole-1-carboxamide?
N-(4-chlorobenzoyl)-2,3-dihydroindole-1-carboxamide has a molecular weight of 300.75 g/mol, XLogP of 3.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorobenzoyl)-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 23992308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).