6-chloro-N-[(2-fluorophenyl)methyl]-3-methyl-1H-indole-2-carboxamide

C17H14ClFN2O — CID 113205279

IUPAC6-chloro-N-[(2-fluorophenyl)methyl]-3-methyl-1H-indole-2-carboxamide
SMILESCc1c(C(=O)NCc2ccccc2F)[nH]c2cc(Cl)ccc12
InChIInChI=1S/C17H14ClFN2O/c1-10-13-7-6-12(18)8-15(13)21-16(10)17(22)20-9-11-4-2-3-5-14(11)19/h2-8,21H,9H2,1H3,(H,20,22)
InChIKeyDFEMWEGSXOKUJB-UHFFFAOYSA-N
MW316.76 g/mol
LogP4.20
Rot. Bonds3

About 6-chloro-N-[(2-fluorophenyl)methyl]-3-methyl-1H-indole-2-carboxamide

6-chloro-N-[(2-fluorophenyl)methyl]-3-methyl-1H-indole-2-carboxamide (PubChem CID 113205279) has the molecular formula C17H14ClFN2O and a molecular weight of 316.76 g/mol. Its IUPAC name is 6-chloro-N-[(2-fluorophenyl)methyl]-3-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[(2-fluorophenyl)methyl]-3-methyl-1H-indole-2-carboxamide
PubChem CID113205279
Molecular FormulaC17H14ClFN2O
Molecular Weight316.76 g/mol
Exact Mass316.08
IUPAC Name6-chloro-N-[(2-fluorophenyl)methyl]-3-methyl-1H-indole-2-carboxamide
SMILESCc1c(C(=O)NCc2ccccc2F)[nH]c2cc(Cl)ccc12
InChIInChI=1S/C17H14ClFN2O/c1-10-13-7-6-12(18)8-15(13)21-16(10)17(22)20-9-11-4-2-3-5-14(11)19/h2-8,21H,9H2,1H3,(H,20,22)
InChIKeyDFEMWEGSXOKUJB-UHFFFAOYSA-N
XLogP4.20
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.76
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-N-[(2-fluorophenyl)methyl]-1H-indole-3-carboxamide
CID 113206366
5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-[(2-fluorophenyl)methyl]-1H-indole-2-carboxamide
CID 90676827
N-[(4-chlorophenyl)methyl]-3,6-dimethyl-1H-indole-2-carboxamide
CID 113204978
6-chloro-N-[2-(4-methoxyphenyl)ethyl]-3-methyl-1H-indole-2-carboxamide
CID 113205294
6-chloro-N-ethyl-3-methyl-N-phenyl-1H-indole-2-carboxamide
CID 113205333
5-fluoro-N-[(2-fluorophenyl)methyl]-3-phenyl-1H-indole-2-carboxamide
CID 21014382
6-fluoro-3-methyl-N-(3-phenylpropyl)-1H-indole-2-carboxamide
CID 113205161
2-fluoro-N-[(2-fluorophenyl)methyl]-5-methylbenzamide
CID 62510380
5-chloro-N-[(2-fluorophenyl)methyl]-2-hydrazinylbenzamide
CID 62248139
2-chloro-N-[(2-fluorophenyl)methyl]benzamide
CID 5082380
N-[(2-fluorophenyl)methyl]-2-methyl-1H-indole-5-carboxamide
CID 110695040
N-[2-(4-fluorophenyl)ethyl]-3,6-dimethyl-1H-indole-2-carboxamide
CID 113204989

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(2-fluorophenyl)methyl]-3-methyl-1H-indole-2-carboxamide?
The IUPAC name of 6-chloro-N-[(2-fluorophenyl)methyl]-3-methyl-1H-indole-2-carboxamide (CID 113205279) is 6-chloro-N-[(2-fluorophenyl)methyl]-3-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for 6-chloro-N-[(2-fluorophenyl)methyl]-3-methyl-1H-indole-2-carboxamide?
The canonical SMILES for 6-chloro-N-[(2-fluorophenyl)methyl]-3-methyl-1H-indole-2-carboxamide is Cc1c(C(=O)NCc2ccccc2F)[nH]c2cc(Cl)ccc12.
What is the InChIKey of 6-chloro-N-[(2-fluorophenyl)methyl]-3-methyl-1H-indole-2-carboxamide?
The InChIKey is DFEMWEGSXOKUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN2O/c1-10-13-7-6-12(18)8-15(13)21-16(10)17(22)20-9-11-4-2-3-5-14(11)19/h2-8,21H,9H2,1H3,(H,20,22).
What are the key properties of 6-chloro-N-[(2-fluorophenyl)methyl]-3-methyl-1H-indole-2-carboxamide?
6-chloro-N-[(2-fluorophenyl)methyl]-3-methyl-1H-indole-2-carboxamide has a molecular weight of 316.76 g/mol, XLogP of 4.20, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(2-fluorophenyl)methyl]-3-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 113205279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).