N-[[4-(difluoromethoxy)phenyl]methyl]-1H-indole-2-carboxamide

C17H14F2N2O2 — CID 42006153

IUPACN-[[4-(difluoromethoxy)phenyl]methyl]-1H-indole-2-carboxamide
SMILESO=C(NCc1ccc(OC(F)F)cc1)c1cc2ccccc2[nH]1
InChIInChI=1S/C17H14F2N2O2/c18-17(19)23-13-7-5-11(6-8-13)10-20-16(22)15-9-12-3-1-2-4-14(12)21-15/h1-9,17,21H,10H2,(H,20,22)
InChIKeyGXYFPKNFXSMFST-UHFFFAOYSA-N
MW316.31 g/mol
LogP3.70
Rot. Bonds5

About N-[[4-(difluoromethoxy)phenyl]methyl]-1H-indole-2-carboxamide

N-[[4-(difluoromethoxy)phenyl]methyl]-1H-indole-2-carboxamide (PubChem CID 42006153) has the molecular formula C17H14F2N2O2 and a molecular weight of 316.31 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)phenyl]methyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)phenyl]methyl]-1H-indole-2-carboxamide
PubChem CID42006153
Molecular FormulaC17H14F2N2O2
Molecular Weight316.31 g/mol
Exact Mass316.10
IUPAC NameN-[[4-(difluoromethoxy)phenyl]methyl]-1H-indole-2-carboxamide
SMILESO=C(NCc1ccc(OC(F)F)cc1)c1cc2ccccc2[nH]1
InChIInChI=1S/C17H14F2N2O2/c18-17(19)23-13-7-5-11(6-8-13)10-20-16(22)15-9-12-3-1-2-4-14(12)21-15/h1-9,17,21H,10H2,(H,20,22)
InChIKeyGXYFPKNFXSMFST-UHFFFAOYSA-N
XLogP3.70
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-bromophenyl)methyl]-1H-indole-2-carboxamide
CID 46921176
[4-[(1H-indole-2-carbonylamino)methyl]phenyl]boronic acid
CID 140927918
N-[(4-sulfamoylphenyl)methyl]-1H-indole-2-carboxamide
CID 23025509
N-[[4-(difluoromethoxy)phenyl]methyl]-3-(1H-indol-3-yl)-1H-pyrazole-5-carboxamide
CID 166327720
2-N,6-N-bis[[4-(difluoromethoxy)phenyl]methyl]pyridine-2,6-dicarboxamide
CID 39047207
6-methoxy-N-[[4-(phenylmethoxymethyl)phenyl]methyl]-1H-indole-2-carboxamide
CID 55694524
N-(furan-3-ylmethyl)-1H-indole-2-carboxamide
CID 47034241
N-[(3,4,5-trimethoxyphenyl)methyl]-1H-indole-2-carboxamide
CID 9483409
2-bromo-N-[[4-(difluoromethoxy)phenyl]methyl]benzamide
CID 42006664
N-[(2-fluorophenyl)methyl]-1H-indole-2-carboxamide
CID 9374796
N-[2-[[3-(difluoromethoxy)phenyl]methylamino]-2-oxoethyl]-5-methoxy-1H-indole-2-carboxamide
CID 145164512
N-[2-(2,2-difluoroethoxy)ethyl]-1H-indole-2-carboxamide
CID 103082568

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-1H-indole-2-carboxamide?
The IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-1H-indole-2-carboxamide (CID 42006153) is N-[[4-(difluoromethoxy)phenyl]methyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[[4-(difluoromethoxy)phenyl]methyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[[4-(difluoromethoxy)phenyl]methyl]-1H-indole-2-carboxamide is O=C(NCc1ccc(OC(F)F)cc1)c1cc2ccccc2[nH]1.
What is the InChIKey of N-[[4-(difluoromethoxy)phenyl]methyl]-1H-indole-2-carboxamide?
The InChIKey is GXYFPKNFXSMFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N2O2/c18-17(19)23-13-7-5-11(6-8-13)10-20-16(22)15-9-12-3-1-2-4-14(12)21-15/h1-9,17,21H,10H2,(H,20,22).
What are the key properties of N-[[4-(difluoromethoxy)phenyl]methyl]-1H-indole-2-carboxamide?
N-[[4-(difluoromethoxy)phenyl]methyl]-1H-indole-2-carboxamide has a molecular weight of 316.31 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)phenyl]methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 42006153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).