2-chloro-5-(1H-indol-5-ylmethylamino)benzamide

C16H14ClN3O — CID 102909673

IUPAC2-chloro-5-(1H-indol-5-ylmethylamino)benzamide
SMILESNC(=O)c1cc(NCc2ccc3[nH]ccc3c2)ccc1Cl
InChIInChI=1S/C16H14ClN3O/c17-14-3-2-12(8-13(14)16(18)21)20-9-10-1-4-15-11(7-10)5-6-19-15/h1-8,19-20H,9H2,(H2,18,21)
InChIKeyNMWFYJYGPWNHMO-UHFFFAOYSA-N
MW299.76 g/mol
LogP3.53
Rot. Bonds4

About 2-chloro-5-(1H-indol-5-ylmethylamino)benzamide

2-chloro-5-(1H-indol-5-ylmethylamino)benzamide (PubChem CID 102909673) has the molecular formula C16H14ClN3O and a molecular weight of 299.76 g/mol. Its IUPAC name is 2-chloro-5-(1H-indol-5-ylmethylamino)benzamide.

Molecular Properties

Compound Name2-chloro-5-(1H-indol-5-ylmethylamino)benzamide
PubChem CID102909673
Molecular FormulaC16H14ClN3O
Molecular Weight299.76 g/mol
Exact Mass299.08
IUPAC Name2-chloro-5-(1H-indol-5-ylmethylamino)benzamide
SMILESNC(=O)c1cc(NCc2ccc3[nH]ccc3c2)ccc1Cl
InChIInChI=1S/C16H14ClN3O/c17-14-3-2-12(8-13(14)16(18)21)20-9-10-1-4-15-11(7-10)5-6-19-15/h1-8,19-20H,9H2,(H2,18,21)
InChIKeyNMWFYJYGPWNHMO-UHFFFAOYSA-N
XLogP3.53
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-4-(1H-indol-5-ylmethylamino)phenol
CID 107678050
4-chloro-3-fluoro-N-(1H-indol-5-ylmethyl)aniline;hydrochloride
CID 17221843
2-fluoro-5-(1H-indol-6-ylmethylamino)benzamide
CID 102909656
4-bromo-3-chloro-N-(1H-indol-5-ylmethyl)aniline
CID 107619194
3-chloro-N-(1H-indol-5-ylmethyl)-4-methoxyaniline
CID 102909165
2-chloro-N-(1H-indol-5-ylmethyl)-5-methylaniline
CID 107630712
2-chloro-5-[(3-hydroxy-4-methoxyphenyl)methylamino]benzamide
CID 43713494
2-chloro-5-[(3-fluoro-4-methylphenyl)methylamino]benzamide
CID 63646371
4-[(1H-indol-5-ylamino)methyl]-N-methylbenzamide
CID 60985220
4-fluoro-N-(1H-indol-5-ylmethyl)-3-methylaniline
CID 102910801
N-(1H-indol-5-ylmethyl)quinoxalin-6-amine
CID 102910076
5-[(3-bromo-4-chlorophenyl)methylamino]-2-fluorobenzamide
CID 83236587

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(1H-indol-5-ylmethylamino)benzamide?
The IUPAC name of 2-chloro-5-(1H-indol-5-ylmethylamino)benzamide (CID 102909673) is 2-chloro-5-(1H-indol-5-ylmethylamino)benzamide.
What is the SMILES notation for 2-chloro-5-(1H-indol-5-ylmethylamino)benzamide?
The canonical SMILES for 2-chloro-5-(1H-indol-5-ylmethylamino)benzamide is NC(=O)c1cc(NCc2ccc3[nH]ccc3c2)ccc1Cl.
What is the InChIKey of 2-chloro-5-(1H-indol-5-ylmethylamino)benzamide?
The InChIKey is NMWFYJYGPWNHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O/c17-14-3-2-12(8-13(14)16(18)21)20-9-10-1-4-15-11(7-10)5-6-19-15/h1-8,19-20H,9H2,(H2,18,21).
What are the key properties of 2-chloro-5-(1H-indol-5-ylmethylamino)benzamide?
2-chloro-5-(1H-indol-5-ylmethylamino)benzamide has a molecular weight of 299.76 g/mol, XLogP of 3.53, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(1H-indol-5-ylmethylamino)benzamide is sourced from PubChem (CID 102909673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).