N-[2-[[3-(difluoromethoxy)phenyl]methylamino]-2-oxoethyl]-5-methoxy-1H-indole-2-carboxamide

C20H19F2N3O4 — CID 145164512

IUPACN-[2-[[3-(difluoromethoxy)phenyl]methylamino]-2-oxoethyl]-5-methoxy-1H-indole-2-carboxamide
SMILESCOc1ccc2[nH]c(C(=O)NCC(=O)NCc3cccc(OC(F)F)c3)cc2c1
InChIInChI=1S/C20H19F2N3O4/c1-28-14-5-6-16-13(8-14)9-17(25-16)19(27)24-11-18(26)23-10-12-3-2-4-15(7-12)29-20(21)22/h2-9,20,25H,10-11H2,1H3,(H,23,26)(H,24,27)
InChIKeyIMOSTKMTIUSUDX-UHFFFAOYSA-N
MW403.39 g/mol
LogP2.82
Rot. Bonds8

About N-[2-[[3-(difluoromethoxy)phenyl]methylamino]-2-oxoethyl]-5-methoxy-1H-indole-2-carboxamide

N-[2-[[3-(difluoromethoxy)phenyl]methylamino]-2-oxoethyl]-5-methoxy-1H-indole-2-carboxamide (PubChem CID 145164512) has the molecular formula C20H19F2N3O4 and a molecular weight of 403.39 g/mol. Its IUPAC name is N-[2-[[3-(difluoromethoxy)phenyl]methylamino]-2-oxoethyl]-5-methoxy-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[3-(difluoromethoxy)phenyl]methylamino]-2-oxoethyl]-5-methoxy-1H-indole-2-carboxamide
PubChem CID145164512
Molecular FormulaC20H19F2N3O4
Molecular Weight403.39 g/mol
Exact Mass403.13
IUPAC NameN-[2-[[3-(difluoromethoxy)phenyl]methylamino]-2-oxoethyl]-5-methoxy-1H-indole-2-carboxamide
SMILESCOc1ccc2[nH]c(C(=O)NCC(=O)NCc3cccc(OC(F)F)c3)cc2c1
InChIInChI=1S/C20H19F2N3O4/c1-28-14-5-6-16-13(8-14)9-17(25-16)19(27)24-11-18(26)23-10-12-3-2-4-15(7-12)29-20(21)22/h2-9,20,25H,10-11H2,1H3,(H,23,26)(H,24,27)
InChIKeyIMOSTKMTIUSUDX-UHFFFAOYSA-N
XLogP2.82
TPSA92.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.39
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(difluoromethoxy)phenyl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 32734290
5-methoxy-N-[2-(3-methoxyphenyl)ethyl]-1H-indole-2-carboxamide
CID 113207269
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-methoxy-1H-indole-2-carboxamide
CID 99790211
1-[[3-(difluoromethoxy)phenyl]methyl]-3-[(3-methoxyphenyl)methyl]urea
CID 49467029
N-[[4-(difluoromethoxy)phenyl]methyl]-1H-indole-2-carboxamide
CID 42006153
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(3-methoxyphenyl)acetamide
CID 31424405
5-chloro-N-[2-(3-methoxyphenyl)ethyl]-1H-indole-2-carboxamide
CID 113207205
5-fluoro-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1H-indole-2-carboxamide
CID 111115526
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] (E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoate
CID 7996518
6-methoxy-N-[(3-pyridin-2-yloxyphenyl)methyl]-1H-indole-2-carboxamide
CID 90596329
N-[(3-methoxyphenyl)methyl]-2-(propan-2-ylamino)acetamide
CID 60683260
5-methoxy-N-propan-2-yl-1H-indole-2-carboxamide
CID 110847836

Frequently Asked Questions

What is the IUPAC name of N-[2-[[3-(difluoromethoxy)phenyl]methylamino]-2-oxoethyl]-5-methoxy-1H-indole-2-carboxamide?
The IUPAC name of N-[2-[[3-(difluoromethoxy)phenyl]methylamino]-2-oxoethyl]-5-methoxy-1H-indole-2-carboxamide (CID 145164512) is N-[2-[[3-(difluoromethoxy)phenyl]methylamino]-2-oxoethyl]-5-methoxy-1H-indole-2-carboxamide.
What is the SMILES notation for N-[2-[[3-(difluoromethoxy)phenyl]methylamino]-2-oxoethyl]-5-methoxy-1H-indole-2-carboxamide?
The canonical SMILES for N-[2-[[3-(difluoromethoxy)phenyl]methylamino]-2-oxoethyl]-5-methoxy-1H-indole-2-carboxamide is COc1ccc2[nH]c(C(=O)NCC(=O)NCc3cccc(OC(F)F)c3)cc2c1.
What is the InChIKey of N-[2-[[3-(difluoromethoxy)phenyl]methylamino]-2-oxoethyl]-5-methoxy-1H-indole-2-carboxamide?
The InChIKey is IMOSTKMTIUSUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N3O4/c1-28-14-5-6-16-13(8-14)9-17(25-16)19(27)24-11-18(26)23-10-12-3-2-4-15(7-12)29-20(21)22/h2-9,20,25H,10-11H2,1H3,(H,23,26)(H,24,27).
What are the key properties of N-[2-[[3-(difluoromethoxy)phenyl]methylamino]-2-oxoethyl]-5-methoxy-1H-indole-2-carboxamide?
N-[2-[[3-(difluoromethoxy)phenyl]methylamino]-2-oxoethyl]-5-methoxy-1H-indole-2-carboxamide has a molecular weight of 403.39 g/mol, XLogP of 2.82, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[3-(difluoromethoxy)phenyl]methylamino]-2-oxoethyl]-5-methoxy-1H-indole-2-carboxamide is sourced from PubChem (CID 145164512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).