2-[2-(difluoromethoxy)anilino]-N-(3-methylbutyl)propanamide

C15H22F2N2O2 — CID 43244384

IUPAC2-[2-(difluoromethoxy)anilino]-N-(3-methylbutyl)propanamide
SMILESCC(C)CCNC(=O)C(C)Nc1ccccc1OC(F)F
InChIInChI=1S/C15H22F2N2O2/c1-10(2)8-9-18-14(20)11(3)19-12-6-4-5-7-13(12)21-15(16)17/h4-7,10-11,15,19H,8-9H2,1-3H3,(H,18,20)
InChIKeyWXBCGGKCTAMHQU-UHFFFAOYSA-N
MW300.35 g/mol
LogP3.25
Rot. Bonds8

About 2-[2-(difluoromethoxy)anilino]-N-(3-methylbutyl)propanamide

2-[2-(difluoromethoxy)anilino]-N-(3-methylbutyl)propanamide (PubChem CID 43244384) has the molecular formula C15H22F2N2O2 and a molecular weight of 300.35 g/mol. Its IUPAC name is 2-[2-(difluoromethoxy)anilino]-N-(3-methylbutyl)propanamide.

Molecular Properties

Compound Name2-[2-(difluoromethoxy)anilino]-N-(3-methylbutyl)propanamide
PubChem CID43244384
Molecular FormulaC15H22F2N2O2
Molecular Weight300.35 g/mol
Exact Mass300.16
IUPAC Name2-[2-(difluoromethoxy)anilino]-N-(3-methylbutyl)propanamide
SMILESCC(C)CCNC(=O)C(C)Nc1ccccc1OC(F)F
InChIInChI=1S/C15H22F2N2O2/c1-10(2)8-9-18-14(20)11(3)19-12-6-4-5-7-13(12)21-15(16)17/h4-7,10-11,15,19H,8-9H2,1-3H3,(H,18,20)
InChIKeyWXBCGGKCTAMHQU-UHFFFAOYSA-N
XLogP3.25
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-fluoro-2-methylanilino)-N-(3-methylbutyl)propanamide
CID 43113491
2-(difluoromethoxy)-N-(4-methylpentan-2-yl)aniline
CID 43100384
2-(4-fluoro-2-methylanilino)-N-(3-methylbutyl)propanamide
CID 43113611
(2R)-N-[2-(difluoromethoxy)phenyl]-2-(3,4-dimethylanilino)propanamide
CID 25346916
2-[2-(difluoromethoxy)anilino]-N'-hydroxypropanimidamide
CID 77030017
(2S)-2-amino-N-[2-(difluoromethoxy)phenyl]propanamide
CID 61147422
2-(2-methoxy-5-methylanilino)-N-(3-methylbutyl)propanamide
CID 43113511
[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2-(difluoromethoxy)benzoate
CID 2691716
1-[[2-(difluoromethoxy)phenyl]methyl]-3-(5-methylhexan-2-yl)urea
CID 78833839
2-(difluoromethoxy)-N-(2-methylpentan-3-yl)aniline
CID 43766728
2-chloro-N-[[2-(difluoromethoxy)phenyl]carbamoyl]propanamide
CID 43329114
2-amino-N-[2-(difluoromethoxy)phenyl]-3-methylbutanamide
CID 43146665

Frequently Asked Questions

What is the IUPAC name of 2-[2-(difluoromethoxy)anilino]-N-(3-methylbutyl)propanamide?
The IUPAC name of 2-[2-(difluoromethoxy)anilino]-N-(3-methylbutyl)propanamide (CID 43244384) is 2-[2-(difluoromethoxy)anilino]-N-(3-methylbutyl)propanamide.
What is the SMILES notation for 2-[2-(difluoromethoxy)anilino]-N-(3-methylbutyl)propanamide?
The canonical SMILES for 2-[2-(difluoromethoxy)anilino]-N-(3-methylbutyl)propanamide is CC(C)CCNC(=O)C(C)Nc1ccccc1OC(F)F.
What is the InChIKey of 2-[2-(difluoromethoxy)anilino]-N-(3-methylbutyl)propanamide?
The InChIKey is WXBCGGKCTAMHQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2O2/c1-10(2)8-9-18-14(20)11(3)19-12-6-4-5-7-13(12)21-15(16)17/h4-7,10-11,15,19H,8-9H2,1-3H3,(H,18,20).
What are the key properties of 2-[2-(difluoromethoxy)anilino]-N-(3-methylbutyl)propanamide?
2-[2-(difluoromethoxy)anilino]-N-(3-methylbutyl)propanamide has a molecular weight of 300.35 g/mol, XLogP of 3.25, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(difluoromethoxy)anilino]-N-(3-methylbutyl)propanamide is sourced from PubChem (CID 43244384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).