4-[(4-amino-2,3-dihydroindol-1-yl)methyl]-3-chlorobenzamide

C16H16ClN3O — CID 102668638

IUPAC4-[(4-amino-2,3-dihydroindol-1-yl)methyl]-3-chlorobenzamide
SMILESNC(=O)c1ccc(CN2CCc3c(N)cccc32)c(Cl)c1
InChIInChI=1S/C16H16ClN3O/c17-13-8-10(16(19)21)4-5-11(13)9-20-7-6-12-14(18)2-1-3-15(12)20/h1-5,8H,6-7,9,18H2,(H2,19,21)
InChIKeyXFSWZFVTLPHXNJ-UHFFFAOYSA-N
MW301.78 g/mol
LogP2.58
Rot. Bonds3

About 4-[(4-amino-2,3-dihydroindol-1-yl)methyl]-3-chlorobenzamide

4-[(4-amino-2,3-dihydroindol-1-yl)methyl]-3-chlorobenzamide (PubChem CID 102668638) has the molecular formula C16H16ClN3O and a molecular weight of 301.78 g/mol. Its IUPAC name is 4-[(4-amino-2,3-dihydroindol-1-yl)methyl]-3-chlorobenzamide.

Molecular Properties

Compound Name4-[(4-amino-2,3-dihydroindol-1-yl)methyl]-3-chlorobenzamide
PubChem CID102668638
Molecular FormulaC16H16ClN3O
Molecular Weight301.78 g/mol
Exact Mass301.10
IUPAC Name4-[(4-amino-2,3-dihydroindol-1-yl)methyl]-3-chlorobenzamide
SMILESNC(=O)c1ccc(CN2CCc3c(N)cccc32)c(Cl)c1
InChIInChI=1S/C16H16ClN3O/c17-13-8-10(16(19)21)4-5-11(13)9-20-7-6-12-14(18)2-1-3-15(12)20/h1-5,8H,6-7,9,18H2,(H2,19,21)
InChIKeyXFSWZFVTLPHXNJ-UHFFFAOYSA-N
XLogP2.58
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.78
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzamide
CID 43375573
4-[(5-carbamoyl-2,3-dihydroindol-1-yl)methyl]benzoyl iodide
CID 90075277
4-[(2-amino-6-chlorophenoxy)methyl]-3-chlorobenzamide
CID 107716241
1-[(2,6-difluorophenyl)methyl]-2,3-dihydroindol-4-amine
CID 114930494
3-chloro-4-(2,3-dihydro-1,4-benzoxazin-4-ylmethyl)benzoic acid
CID 117219287
1-[(2-chloro-4-methylphenyl)methyl]-2,3-dihydroindole-5-carboxylic acid
CID 106865343
4-[(4-amino-2-methylpiperidin-1-yl)methyl]-3-chlorobenzamide
CID 102669340
1-[(2-chloro-3-fluorophenyl)methyl]-3,4-dihydro-2H-quinolin-5-amine
CID 115983271
2-[(2-chlorophenyl)methyl]-3,4-dihydro-1H-isoquinoline-6-carboxamide
CID 174310486
4-[(2-amino-6-methylphenoxy)methyl]-3-chlorobenzamide
CID 102663198
2-(2-aminophenyl)-1-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]ethanone
CID 147623744
3-chloro-4-[(2-morpholin-4-ylethylamino)methyl]benzamide
CID 102663922

Frequently Asked Questions

What is the IUPAC name of 4-[(4-amino-2,3-dihydroindol-1-yl)methyl]-3-chlorobenzamide?
The IUPAC name of 4-[(4-amino-2,3-dihydroindol-1-yl)methyl]-3-chlorobenzamide (CID 102668638) is 4-[(4-amino-2,3-dihydroindol-1-yl)methyl]-3-chlorobenzamide.
What is the SMILES notation for 4-[(4-amino-2,3-dihydroindol-1-yl)methyl]-3-chlorobenzamide?
The canonical SMILES for 4-[(4-amino-2,3-dihydroindol-1-yl)methyl]-3-chlorobenzamide is NC(=O)c1ccc(CN2CCc3c(N)cccc32)c(Cl)c1.
What is the InChIKey of 4-[(4-amino-2,3-dihydroindol-1-yl)methyl]-3-chlorobenzamide?
The InChIKey is XFSWZFVTLPHXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O/c17-13-8-10(16(19)21)4-5-11(13)9-20-7-6-12-14(18)2-1-3-15(12)20/h1-5,8H,6-7,9,18H2,(H2,19,21).
What are the key properties of 4-[(4-amino-2,3-dihydroindol-1-yl)methyl]-3-chlorobenzamide?
4-[(4-amino-2,3-dihydroindol-1-yl)methyl]-3-chlorobenzamide has a molecular weight of 301.78 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-amino-2,3-dihydroindol-1-yl)methyl]-3-chlorobenzamide is sourced from PubChem (CID 102668638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).