2-(difluoromethoxy)-3-methoxy-N-(2-methylpropyl)benzamide

C13H17F2NO3 — CID 134059564

IUPAC2-(difluoromethoxy)-3-methoxy-N-(2-methylpropyl)benzamide
SMILESCOc1cccc(C(=O)NCC(C)C)c1OC(F)F
InChIInChI=1S/C13H17F2NO3/c1-8(2)7-16-12(17)9-5-4-6-10(18-3)11(9)19-13(14)15/h4-6,8,13H,7H2,1-3H3,(H,16,17)
InChIKeyDSMRQCPZSKQULO-UHFFFAOYSA-N
MW273.28 g/mol
LogP2.68
Rot. Bonds6

About 2-(difluoromethoxy)-3-methoxy-N-(2-methylpropyl)benzamide

2-(difluoromethoxy)-3-methoxy-N-(2-methylpropyl)benzamide (PubChem CID 134059564) has the molecular formula C13H17F2NO3 and a molecular weight of 273.28 g/mol. Its IUPAC name is 2-(difluoromethoxy)-3-methoxy-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name2-(difluoromethoxy)-3-methoxy-N-(2-methylpropyl)benzamide
PubChem CID134059564
Molecular FormulaC13H17F2NO3
Molecular Weight273.28 g/mol
Exact Mass273.12
IUPAC Name2-(difluoromethoxy)-3-methoxy-N-(2-methylpropyl)benzamide
SMILESCOc1cccc(C(=O)NCC(C)C)c1OC(F)F
InChIInChI=1S/C13H17F2NO3/c1-8(2)7-16-12(17)9-5-4-6-10(18-3)11(9)19-13(14)15/h4-6,8,13H,7H2,1-3H3,(H,16,17)
InChIKeyDSMRQCPZSKQULO-UHFFFAOYSA-N
XLogP2.68
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(difluoromethoxy)-3-methoxy-N-[2-(methylamino)propyl]benzamide
CID 120828025
2-(difluoromethoxy)-3-methoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 51143674
N-benzyl-2-(difluoromethoxy)-3-methoxybenzamide
CID 51147930
(2S)-2-[[2-[[2-(difluoromethoxy)-3-methoxybenzoyl]amino]acetyl]amino]-4-methylpentanoic acid
CID 120695489
5-[[2-(difluoromethoxy)-3-methoxybenzoyl]amino]pentanoic acid
CID 119234605
(2S)-2-[[2-(difluoromethoxy)-3-methoxybenzoyl]amino]propanoic acid
CID 119238118
N-[(2S)-3-(cyclopropylmethoxy)-2-hydroxypropyl]-2-(difluoromethoxy)-3-methoxybenzamide
CID 97000794
N-[(3-chlorophenyl)methyl]-2-(difluoromethoxy)-3-methoxybenzamide
CID 51158712
2-(difluoromethoxy)-3-methoxy-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 86820780
2-(difluoromethoxy)-3-methoxy-N-(1-phenylethyl)benzamide
CID 51147641
2-(difluoromethoxy)-3-methoxy-N-naphthalen-1-ylbenzamide
CID 112762767
2-(difluoromethoxy)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methoxybenzamide
CID 86822451

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-3-methoxy-N-(2-methylpropyl)benzamide?
The IUPAC name of 2-(difluoromethoxy)-3-methoxy-N-(2-methylpropyl)benzamide (CID 134059564) is 2-(difluoromethoxy)-3-methoxy-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 2-(difluoromethoxy)-3-methoxy-N-(2-methylpropyl)benzamide?
The canonical SMILES for 2-(difluoromethoxy)-3-methoxy-N-(2-methylpropyl)benzamide is COc1cccc(C(=O)NCC(C)C)c1OC(F)F.
What is the InChIKey of 2-(difluoromethoxy)-3-methoxy-N-(2-methylpropyl)benzamide?
The InChIKey is DSMRQCPZSKQULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO3/c1-8(2)7-16-12(17)9-5-4-6-10(18-3)11(9)19-13(14)15/h4-6,8,13H,7H2,1-3H3,(H,16,17).
What are the key properties of 2-(difluoromethoxy)-3-methoxy-N-(2-methylpropyl)benzamide?
2-(difluoromethoxy)-3-methoxy-N-(2-methylpropyl)benzamide has a molecular weight of 273.28 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-3-methoxy-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 134059564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).