1-acetyl-5-chloro-N-[(2-methylphenyl)methyl]indole-3-carboxamide

C19H17ClN2O2 — CID 113212543

IUPAC1-acetyl-5-chloro-N-[(2-methylphenyl)methyl]indole-3-carboxamide
SMILESCC(=O)n1cc(C(=O)NCc2ccccc2C)c2cc(Cl)ccc21
InChIInChI=1S/C19H17ClN2O2/c1-12-5-3-4-6-14(12)10-21-19(24)17-11-22(13(2)23)18-8-7-15(20)9-16(17)18/h3-9,11H,10H2,1-2H3,(H,21,24)
InChIKeyUVHYCCYQBZCHCP-UHFFFAOYSA-N
MW340.81 g/mol
LogP4.19
Rot. Bonds3

About 1-acetyl-5-chloro-N-[(2-methylphenyl)methyl]indole-3-carboxamide

1-acetyl-5-chloro-N-[(2-methylphenyl)methyl]indole-3-carboxamide (PubChem CID 113212543) has the molecular formula C19H17ClN2O2 and a molecular weight of 340.81 g/mol. Its IUPAC name is 1-acetyl-5-chloro-N-[(2-methylphenyl)methyl]indole-3-carboxamide.

Molecular Properties

Compound Name1-acetyl-5-chloro-N-[(2-methylphenyl)methyl]indole-3-carboxamide
PubChem CID113212543
Molecular FormulaC19H17ClN2O2
Molecular Weight340.81 g/mol
Exact Mass340.10
IUPAC Name1-acetyl-5-chloro-N-[(2-methylphenyl)methyl]indole-3-carboxamide
SMILESCC(=O)n1cc(C(=O)NCc2ccccc2C)c2cc(Cl)ccc21
InChIInChI=1S/C19H17ClN2O2/c1-12-5-3-4-6-14(12)10-21-19(24)17-11-22(13(2)23)18-8-7-15(20)9-16(17)18/h3-9,11H,10H2,1-2H3,(H,21,24)
InChIKeyUVHYCCYQBZCHCP-UHFFFAOYSA-N
XLogP4.19
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-acetyl-5-chloro-N-[(2-methoxyphenyl)methyl]indole-3-carboxamide
CID 113212552
1-acetyl-N-[(4-chlorophenyl)methyl]indole-3-carboxamide
CID 113207852
1-acetyl-5-chloro-N-(3-methylbutyl)indole-3-carboxamide
CID 113212590
4-chloro-2-hydroxy-N-[(2-methylphenyl)methyl]benzamide
CID 54941047
N-(4-acetamidophenyl)-1-acetyl-5-chloroindole-3-carboxamide
CID 113212650
1-acetyl-5-chloro-N-ethyl-N-phenylindole-3-carboxamide
CID 113212614
2-chloro-5-hydroxy-N-[(2-methylphenyl)methyl]benzamide
CID 106501455
2-(1-acetyl-5-chloroindol-3-yl)acetic acid
CID 175397718
N'-(4-chloro-2-methylphenyl)-N-[(2-methylphenyl)methyl]propanediamide
CID 108945452
2,5-difluoro-N-[(2-methylphenyl)methyl]benzamide
CID 30500868
6-(5-chloro-2-methylanilino)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109368669
1-acetyl-5-fluoro-N-(pyridin-4-ylmethyl)indole-3-carboxamide
CID 113212364

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-5-chloro-N-[(2-methylphenyl)methyl]indole-3-carboxamide?
The IUPAC name of 1-acetyl-5-chloro-N-[(2-methylphenyl)methyl]indole-3-carboxamide (CID 113212543) is 1-acetyl-5-chloro-N-[(2-methylphenyl)methyl]indole-3-carboxamide.
What is the SMILES notation for 1-acetyl-5-chloro-N-[(2-methylphenyl)methyl]indole-3-carboxamide?
The canonical SMILES for 1-acetyl-5-chloro-N-[(2-methylphenyl)methyl]indole-3-carboxamide is CC(=O)n1cc(C(=O)NCc2ccccc2C)c2cc(Cl)ccc21.
What is the InChIKey of 1-acetyl-5-chloro-N-[(2-methylphenyl)methyl]indole-3-carboxamide?
The InChIKey is UVHYCCYQBZCHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O2/c1-12-5-3-4-6-14(12)10-21-19(24)17-11-22(13(2)23)18-8-7-15(20)9-16(17)18/h3-9,11H,10H2,1-2H3,(H,21,24).
What are the key properties of 1-acetyl-5-chloro-N-[(2-methylphenyl)methyl]indole-3-carboxamide?
1-acetyl-5-chloro-N-[(2-methylphenyl)methyl]indole-3-carboxamide has a molecular weight of 340.81 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-5-chloro-N-[(2-methylphenyl)methyl]indole-3-carboxamide is sourced from PubChem (CID 113212543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).