1-butyl-N-(2,6-dichlorophenyl)-3-methylindole-2-carboxamide

C20H20Cl2N2O — CID 110501258

IUPAC1-butyl-N-(2,6-dichlorophenyl)-3-methylindole-2-carboxamide
SMILESCCCCn1c(C(=O)Nc2c(Cl)cccc2Cl)c(C)c2ccccc21
InChIInChI=1S/C20H20Cl2N2O/c1-3-4-12-24-17-11-6-5-8-14(17)13(2)19(24)20(25)23-18-15(21)9-7-10-16(18)22/h5-11H,3-4,12H2,1-2H3,(H,23,25)
InChIKeySAPZBEZQCBNELT-UHFFFAOYSA-N
MW375.30 g/mol
LogP6.31
Rot. Bonds5

About 1-butyl-N-(2,6-dichlorophenyl)-3-methylindole-2-carboxamide

1-butyl-N-(2,6-dichlorophenyl)-3-methylindole-2-carboxamide (PubChem CID 110501258) has the molecular formula C20H20Cl2N2O and a molecular weight of 375.30 g/mol. Its IUPAC name is 1-butyl-N-(2,6-dichlorophenyl)-3-methylindole-2-carboxamide.

Molecular Properties

Compound Name1-butyl-N-(2,6-dichlorophenyl)-3-methylindole-2-carboxamide
PubChem CID110501258
Molecular FormulaC20H20Cl2N2O
Molecular Weight375.30 g/mol
Exact Mass374.10
IUPAC Name1-butyl-N-(2,6-dichlorophenyl)-3-methylindole-2-carboxamide
SMILESCCCCn1c(C(=O)Nc2c(Cl)cccc2Cl)c(C)c2ccccc21
InChIInChI=1S/C20H20Cl2N2O/c1-3-4-12-24-17-11-6-5-8-14(17)13(2)19(24)20(25)23-18-15(21)9-7-10-16(18)22/h5-11H,3-4,12H2,1-2H3,(H,23,25)
InChIKeySAPZBEZQCBNELT-UHFFFAOYSA-N
XLogP6.31
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.30
LogP ≤ 56.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

1-butyl-N-(6-chloro-2-pyridinyl)-3-methylindole-2-carboxamide
CID 110501404
1-butyl-3-methyl-N-pyridin-4-ylindole-2-carboxamide
CID 110501411
1-butyl-3-methyl-N-(4-pyrrolidin-1-ylphenyl)indole-2-carboxamide
CID 110501327
methyl 3-[(1-butyl-3-methylindole-2-carbonyl)amino]-4-chlorobenzoate
CID 110501319
1-butyl-N-(4-tert-butylphenyl)-3-methylindole-2-carboxamide
CID 110501283
1-butyl-3-methyl-N-(1H-1,2,4-triazol-5-yl)indole-2-carboxamide
CID 110501382
1-butyl-3-methyl-N-(4-morpholin-4-ylphenyl)indole-2-carboxamide
CID 110501398
1-butyl-3-methyl-N-[3-(trifluoromethyl)phenyl]indole-2-carboxamide
CID 110501236
1-butyl-3-methyl-N-(4-methyl-2-pyridinyl)indole-2-carboxamide
CID 110501362
ethyl 4-[(1-butyl-3-methylindole-2-carbonyl)amino]benzoate
CID 110501209
N-(2,6-dimethylphenyl)-1-ethyl-3-methylindole-2-carboxamide
CID 110501475
4-[(1-butyl-3-methylindole-2-carbonyl)amino]butanoic acid
CID 110497307

Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-(2,6-dichlorophenyl)-3-methylindole-2-carboxamide?
The IUPAC name of 1-butyl-N-(2,6-dichlorophenyl)-3-methylindole-2-carboxamide (CID 110501258) is 1-butyl-N-(2,6-dichlorophenyl)-3-methylindole-2-carboxamide.
What is the SMILES notation for 1-butyl-N-(2,6-dichlorophenyl)-3-methylindole-2-carboxamide?
The canonical SMILES for 1-butyl-N-(2,6-dichlorophenyl)-3-methylindole-2-carboxamide is CCCCn1c(C(=O)Nc2c(Cl)cccc2Cl)c(C)c2ccccc21.
What is the InChIKey of 1-butyl-N-(2,6-dichlorophenyl)-3-methylindole-2-carboxamide?
The InChIKey is SAPZBEZQCBNELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N2O/c1-3-4-12-24-17-11-6-5-8-14(17)13(2)19(24)20(25)23-18-15(21)9-7-10-16(18)22/h5-11H,3-4,12H2,1-2H3,(H,23,25).
What are the key properties of 1-butyl-N-(2,6-dichlorophenyl)-3-methylindole-2-carboxamide?
1-butyl-N-(2,6-dichlorophenyl)-3-methylindole-2-carboxamide has a molecular weight of 375.30 g/mol, XLogP of 6.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-(2,6-dichlorophenyl)-3-methylindole-2-carboxamide is sourced from PubChem (CID 110501258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).