methyl 2-[[2-[[4-(difluoromethoxy)-1H-indole-2-carbonyl]amino]acetyl]amino]acetate

C15H15F2N3O5 — CID 167809954

IUPACmethyl 2-[[2-[[4-(difluoromethoxy)-1H-indole-2-carbonyl]amino]acetyl]amino]acetate
SMILESCOC(=O)CNC(=O)CNC(=O)c1cc2c(OC(F)F)cccc2[nH]1
InChIInChI=1S/C15H15F2N3O5/c1-24-13(22)7-18-12(21)6-19-14(23)10-5-8-9(20-10)3-2-4-11(8)25-15(16)17/h2-5,15,20H,6-7H2,1H3,(H,18,21)(H,19,23)
InChIKeyLXECNIRYKHEHNZ-UHFFFAOYSA-N
MW355.30 g/mol
LogP0.79
Rot. Bonds7

About methyl 2-[[2-[[4-(difluoromethoxy)-1H-indole-2-carbonyl]amino]acetyl]amino]acetate

methyl 2-[[2-[[4-(difluoromethoxy)-1H-indole-2-carbonyl]amino]acetyl]amino]acetate (PubChem CID 167809954) has the molecular formula C15H15F2N3O5 and a molecular weight of 355.30 g/mol. Its IUPAC name is methyl 2-[[2-[[4-(difluoromethoxy)-1H-indole-2-carbonyl]amino]acetyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-[[4-(difluoromethoxy)-1H-indole-2-carbonyl]amino]acetyl]amino]acetate
PubChem CID167809954
Molecular FormulaC15H15F2N3O5
Molecular Weight355.30 g/mol
Exact Mass355.10
IUPAC Namemethyl 2-[[2-[[4-(difluoromethoxy)-1H-indole-2-carbonyl]amino]acetyl]amino]acetate
SMILESCOC(=O)CNC(=O)CNC(=O)c1cc2c(OC(F)F)cccc2[nH]1
InChIInChI=1S/C15H15F2N3O5/c1-24-13(22)7-18-12(21)6-19-14(23)10-5-8-9(20-10)3-2-4-11(8)25-15(16)17/h2-5,15,20H,6-7H2,1H3,(H,18,21)(H,19,23)
InChIKeyLXECNIRYKHEHNZ-UHFFFAOYSA-N
XLogP0.79
TPSA109.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.30
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[2-[[4-(difluoromethoxy)-1H-indole-2-carbonyl]amino]acetyl]amino]acetate with MolForge

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Related Compounds

methyl 2-[(4-fluoro-1H-indole-2-carbonyl)amino]acetate
CID 47153631
N-(2-cyclopentyl-2-hydroxyethyl)-4-(difluoromethoxy)-1H-indole-2-carboxamide
CID 111425708
4-(difluoromethoxy)-N-pyridin-4-yl-1H-indole-2-carboxamide
CID 38427829
4-methoxy-N-[2-oxo-2-[[2-oxo-3-[2,3,5,6-tetrafluoro-4-(2-hydroxypropan-2-yl)phenoxy]propyl]amino]ethyl]-1H-indole-2-carboxamide
CID 177146711
N-[2-[[3-(difluoromethoxy)phenyl]methylamino]-2-oxoethyl]-5-methoxy-1H-indole-2-carboxamide
CID 145164512
4-(difluoromethoxy)-N-[1-(3-hydroxypyrrolidin-3-yl)ethyl]-1H-indole-2-carboxamide
CID 167955654
N-[2-[[4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-2-oxoethyl]-4-methoxy-1H-indole-2-carboxamide
CID 143139060
N-[2-[[2-[(S)-amino(pyridin-2-yl)methyl]phenyl]methylamino]-2-oxoethyl]-4-methoxy-1H-indole-2-carboxamide
CID 145164648
(2S)-2-[[2-[(4-fluoro-1H-indole-2-carbonyl)amino]acetyl]amino]-4-methylpentanoic acid
CID 120695269
N-[2-[[4-chloro-3-oxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]amino]-2-oxoethyl]-4-methoxy-1H-indole-2-carboxamide
CID 156882320
N-(1-aminopropan-2-yl)-4-methoxy-1H-indole-2-carboxamide
CID 110833457
methyl 2-[[3-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]benzoyl]amino]acetate
CID 55727946

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[[4-(difluoromethoxy)-1H-indole-2-carbonyl]amino]acetyl]amino]acetate?
The IUPAC name of methyl 2-[[2-[[4-(difluoromethoxy)-1H-indole-2-carbonyl]amino]acetyl]amino]acetate (CID 167809954) is methyl 2-[[2-[[4-(difluoromethoxy)-1H-indole-2-carbonyl]amino]acetyl]amino]acetate.
What is the SMILES notation for methyl 2-[[2-[[4-(difluoromethoxy)-1H-indole-2-carbonyl]amino]acetyl]amino]acetate?
The canonical SMILES for methyl 2-[[2-[[4-(difluoromethoxy)-1H-indole-2-carbonyl]amino]acetyl]amino]acetate is COC(=O)CNC(=O)CNC(=O)c1cc2c(OC(F)F)cccc2[nH]1.
What is the InChIKey of methyl 2-[[2-[[4-(difluoromethoxy)-1H-indole-2-carbonyl]amino]acetyl]amino]acetate?
The InChIKey is LXECNIRYKHEHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N3O5/c1-24-13(22)7-18-12(21)6-19-14(23)10-5-8-9(20-10)3-2-4-11(8)25-15(16)17/h2-5,15,20H,6-7H2,1H3,(H,18,21)(H,19,23).
What are the key properties of methyl 2-[[2-[[4-(difluoromethoxy)-1H-indole-2-carbonyl]amino]acetyl]amino]acetate?
methyl 2-[[2-[[4-(difluoromethoxy)-1H-indole-2-carbonyl]amino]acetyl]amino]acetate has a molecular weight of 355.30 g/mol, XLogP of 0.79, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[[4-(difluoromethoxy)-1H-indole-2-carbonyl]amino]acetyl]amino]acetate is sourced from PubChem (CID 167809954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).