N-[(2,4-difluorophenyl)methyl]-6-methoxy-N-methyl-1H-indole-2-carboxamide

C18H16F2N2O2 — CID 134003047

IUPACN-[(2,4-difluorophenyl)methyl]-6-methoxy-N-methyl-1H-indole-2-carboxamide
SMILESCOc1ccc2cc(C(=O)N(C)Cc3ccc(F)cc3F)[nH]c2c1
InChIInChI=1S/C18H16F2N2O2/c1-22(10-12-3-5-13(19)8-15(12)20)18(23)17-7-11-4-6-14(24-2)9-16(11)21-17/h3-9,21H,10H2,1-2H3
InChIKeyQQRBBRINCSJEHJ-UHFFFAOYSA-N
MW330.33 g/mol
LogP3.73
Rot. Bonds4

About N-[(2,4-difluorophenyl)methyl]-6-methoxy-N-methyl-1H-indole-2-carboxamide

N-[(2,4-difluorophenyl)methyl]-6-methoxy-N-methyl-1H-indole-2-carboxamide (PubChem CID 134003047) has the molecular formula C18H16F2N2O2 and a molecular weight of 330.33 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-6-methoxy-N-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-6-methoxy-N-methyl-1H-indole-2-carboxamide
PubChem CID134003047
Molecular FormulaC18H16F2N2O2
Molecular Weight330.33 g/mol
Exact Mass330.12
IUPAC NameN-[(2,4-difluorophenyl)methyl]-6-methoxy-N-methyl-1H-indole-2-carboxamide
SMILESCOc1ccc2cc(C(=O)N(C)Cc3ccc(F)cc3F)[nH]c2c1
InChIInChI=1S/C18H16F2N2O2/c1-22(10-12-3-5-13(19)8-15(12)20)18(23)17-7-11-4-6-14(24-2)9-16(11)21-17/h3-9,21H,10H2,1-2H3
InChIKeyQQRBBRINCSJEHJ-UHFFFAOYSA-N
XLogP3.73
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.33
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-6-methoxy-1H-indole-2-carboxamide
CID 55721215
CID 156649576
CID 156649576
1-[(2,4-difluorophenyl)methyl]-3-(4-methoxyphenyl)-1-methylurea
CID 32528960
N-[(3-methoxyphenyl)methyl]-N-methyl-1H-indole-2-carboxamide
CID 29217686
methyl 4-[[(5-fluoro-1H-indole-2-carbonyl)-methylamino]methyl]benzoate
CID 37411683
2,5-difluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide
CID 86978699
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-6-methoxy-1H-indole-2-carboxamide
CID 38420989
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-5-methoxy-N-methyl-1H-indole-2-carboxamide
CID 90649915
2-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 94010767
N-carbamimidoyl-6-methoxy-N-methyl-1H-indole-2-carboxamide
CID 54458270
2-ethoxy-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-methylbenzamide
CID 3442794
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-6-methoxy-N-methyl-1H-indole-2-carboxamide
CID 55559726

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-6-methoxy-N-methyl-1H-indole-2-carboxamide?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-6-methoxy-N-methyl-1H-indole-2-carboxamide (CID 134003047) is N-[(2,4-difluorophenyl)methyl]-6-methoxy-N-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-6-methoxy-N-methyl-1H-indole-2-carboxamide?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-6-methoxy-N-methyl-1H-indole-2-carboxamide is COc1ccc2cc(C(=O)N(C)Cc3ccc(F)cc3F)[nH]c2c1.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-6-methoxy-N-methyl-1H-indole-2-carboxamide?
The InChIKey is QQRBBRINCSJEHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N2O2/c1-22(10-12-3-5-13(19)8-15(12)20)18(23)17-7-11-4-6-14(24-2)9-16(11)21-17/h3-9,21H,10H2,1-2H3.
What are the key properties of N-[(2,4-difluorophenyl)methyl]-6-methoxy-N-methyl-1H-indole-2-carboxamide?
N-[(2,4-difluorophenyl)methyl]-6-methoxy-N-methyl-1H-indole-2-carboxamide has a molecular weight of 330.33 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-6-methoxy-N-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 134003047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).