4-amino-N-[3-(difluoromethoxy)-4-methylphenyl]butanamide

C12H16F2N2O2 — CID 119325432

IUPAC4-amino-N-[3-(difluoromethoxy)-4-methylphenyl]butanamide
SMILESCc1ccc(NC(=O)CCCN)cc1OC(F)F
InChIInChI=1S/C12H16F2N2O2/c1-8-4-5-9(7-10(8)18-12(13)14)16-11(17)3-2-6-15/h4-5,7,12H,2-3,6,15H2,1H3,(H,16,17)
InChIKeyCNFUMCBFTLLMAW-UHFFFAOYSA-N
MW258.27 g/mol
LogP2.27
Rot. Bonds6

About 4-amino-N-[3-(difluoromethoxy)-4-methylphenyl]butanamide

4-amino-N-[3-(difluoromethoxy)-4-methylphenyl]butanamide (PubChem CID 119325432) has the molecular formula C12H16F2N2O2 and a molecular weight of 258.27 g/mol. Its IUPAC name is 4-amino-N-[3-(difluoromethoxy)-4-methylphenyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[3-(difluoromethoxy)-4-methylphenyl]butanamide
PubChem CID119325432
Molecular FormulaC12H16F2N2O2
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Name4-amino-N-[3-(difluoromethoxy)-4-methylphenyl]butanamide
SMILESCc1ccc(NC(=O)CCCN)cc1OC(F)F
InChIInChI=1S/C12H16F2N2O2/c1-8-4-5-9(7-10(8)18-12(13)14)16-11(17)3-2-6-15/h4-5,7,12H,2-3,6,15H2,1H3,(H,16,17)
InChIKeyCNFUMCBFTLLMAW-UHFFFAOYSA-N
XLogP2.27
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[3-(difluoromethoxy)-4-methoxyphenyl]butanamide
CID 43712833
7-amino-N-[3-(2,2-difluoroethoxy)-4-methylphenyl]heptanamide
CID 119768175
4-amino-N-[4-methyl-3-(3-methylbutoxy)phenyl]butanamide;hydrochloride
CID 119332237
4-amino-N-(4-fluoro-3-methylphenyl)butanamide;hydrochloride
CID 119280533
3-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]propanamide;hydrochloride
CID 119295358
6-amino-N-(3-fluoro-4-methylphenyl)hexanamide
CID 24704997
4-amino-N-(4-bromo-3-methylphenyl)butanamide
CID 22692281
7-amino-N-[2-(difluoromethoxy)-6-methylphenyl]heptanamide
CID 119764624
N-[3-chloro-4-(difluoromethoxy)phenyl]-4-(methylamino)butanamide
CID 61258739
N-[3-(difluoromethoxy)-4-methylphenyl]cyclopropanecarboxamide
CID 56790840
N-[3-(4-aminobutanoylamino)-4-methylphenyl]pentanamide
CID 39193331
2-amino-N-[3-(difluoromethoxy)-4-methoxyphenyl]acetamide
CID 43712827

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-(difluoromethoxy)-4-methylphenyl]butanamide?
The IUPAC name of 4-amino-N-[3-(difluoromethoxy)-4-methylphenyl]butanamide (CID 119325432) is 4-amino-N-[3-(difluoromethoxy)-4-methylphenyl]butanamide.
What is the SMILES notation for 4-amino-N-[3-(difluoromethoxy)-4-methylphenyl]butanamide?
The canonical SMILES for 4-amino-N-[3-(difluoromethoxy)-4-methylphenyl]butanamide is Cc1ccc(NC(=O)CCCN)cc1OC(F)F.
What is the InChIKey of 4-amino-N-[3-(difluoromethoxy)-4-methylphenyl]butanamide?
The InChIKey is CNFUMCBFTLLMAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O2/c1-8-4-5-9(7-10(8)18-12(13)14)16-11(17)3-2-6-15/h4-5,7,12H,2-3,6,15H2,1H3,(H,16,17).
What are the key properties of 4-amino-N-[3-(difluoromethoxy)-4-methylphenyl]butanamide?
4-amino-N-[3-(difluoromethoxy)-4-methylphenyl]butanamide has a molecular weight of 258.27 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-(difluoromethoxy)-4-methylphenyl]butanamide is sourced from PubChem (CID 119325432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).