2-chloro-4-(2,3-dihydro-1H-indol-7-ylmethylamino)benzamide

C16H16ClN3O — CID 80650015

IUPAC2-chloro-4-(2,3-dihydro-1H-indol-7-ylmethylamino)benzamide
SMILESNC(=O)c1ccc(NCc2cccc3c2NCC3)cc1Cl
InChIInChI=1S/C16H16ClN3O/c17-14-8-12(4-5-13(14)16(18)21)20-9-11-3-1-2-10-6-7-19-15(10)11/h1-5,8,19-20H,6-7,9H2,(H2,18,21)
InChIKeyAYTAFQONPJGYGY-UHFFFAOYSA-N
MW301.78 g/mol
LogP3.02
Rot. Bonds4

About 2-chloro-4-(2,3-dihydro-1H-indol-7-ylmethylamino)benzamide

2-chloro-4-(2,3-dihydro-1H-indol-7-ylmethylamino)benzamide (PubChem CID 80650015) has the molecular formula C16H16ClN3O and a molecular weight of 301.78 g/mol. Its IUPAC name is 2-chloro-4-(2,3-dihydro-1H-indol-7-ylmethylamino)benzamide.

Molecular Properties

Compound Name2-chloro-4-(2,3-dihydro-1H-indol-7-ylmethylamino)benzamide
PubChem CID80650015
Molecular FormulaC16H16ClN3O
Molecular Weight301.78 g/mol
Exact Mass301.10
IUPAC Name2-chloro-4-(2,3-dihydro-1H-indol-7-ylmethylamino)benzamide
SMILESNC(=O)c1ccc(NCc2cccc3c2NCC3)cc1Cl
InChIInChI=1S/C16H16ClN3O/c17-14-8-12(4-5-13(14)16(18)21)20-9-11-3-1-2-10-6-7-19-15(10)11/h1-5,8,19-20H,6-7,9H2,(H2,18,21)
InChIKeyAYTAFQONPJGYGY-UHFFFAOYSA-N
XLogP3.02
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.78
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-[(2-hydroxyphenyl)methylamino]benzamide
CID 43736451
3-chloro-N-(2,3-dihydro-1H-indol-7-ylmethyl)aniline
CID 80648678
2-chloro-4-[(3-fluoro-2-hydroxyphenyl)methylamino]benzamide
CID 115951437
3-bromo-N-(2,3-dihydro-1H-indol-7-ylmethyl)aniline
CID 80650469
N-(2,3-dihydro-1H-indol-7-ylmethyl)-3,4-dimethoxyaniline
CID 80650262
N-(2,3-dihydro-1H-indol-7-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 80648500
N-(2,3-dihydro-1H-indol-7-ylmethyl)-4-(trifluoromethyl)aniline
CID 80650265
N-(2,3-dihydro-1H-indol-7-ylmethyl)-1H-indazol-5-amine
CID 80648541
N-(2,3-dihydro-1H-indol-7-ylmethyl)-4-fluoro-3-methoxyaniline
CID 114838905
2-(2,3-dihydro-1H-indol-7-yl)-N-methylacetamide
CID 115105290
2-[4-(2,3-dihydro-1H-indol-7-ylmethylamino)phenyl]acetonitrile
CID 80650196
4-(1,3-benzodioxol-5-ylmethylamino)-2-chlorobenzamide
CID 43736492

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2,3-dihydro-1H-indol-7-ylmethylamino)benzamide?
The IUPAC name of 2-chloro-4-(2,3-dihydro-1H-indol-7-ylmethylamino)benzamide (CID 80650015) is 2-chloro-4-(2,3-dihydro-1H-indol-7-ylmethylamino)benzamide.
What is the SMILES notation for 2-chloro-4-(2,3-dihydro-1H-indol-7-ylmethylamino)benzamide?
The canonical SMILES for 2-chloro-4-(2,3-dihydro-1H-indol-7-ylmethylamino)benzamide is NC(=O)c1ccc(NCc2cccc3c2NCC3)cc1Cl.
What is the InChIKey of 2-chloro-4-(2,3-dihydro-1H-indol-7-ylmethylamino)benzamide?
The InChIKey is AYTAFQONPJGYGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O/c17-14-8-12(4-5-13(14)16(18)21)20-9-11-3-1-2-10-6-7-19-15(10)11/h1-5,8,19-20H,6-7,9H2,(H2,18,21).
What are the key properties of 2-chloro-4-(2,3-dihydro-1H-indol-7-ylmethylamino)benzamide?
2-chloro-4-(2,3-dihydro-1H-indol-7-ylmethylamino)benzamide has a molecular weight of 301.78 g/mol, XLogP of 3.02, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2,3-dihydro-1H-indol-7-ylmethylamino)benzamide is sourced from PubChem (CID 80650015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).