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

C12H16F2N2O3 — CID 43712833

IUPAC4-amino-N-[3-(difluoromethoxy)-4-methoxyphenyl]butanamide
SMILESCOc1ccc(NC(=O)CCCN)cc1OC(F)F
InChIInChI=1S/C12H16F2N2O3/c1-18-9-5-4-8(7-10(9)19-12(13)14)16-11(17)3-2-6-15/h4-5,7,12H,2-3,6,15H2,1H3,(H,16,17)
InChIKeyTVLASOFVKRNNJT-UHFFFAOYSA-N
MW274.27 g/mol
LogP1.97
Rot. Bonds7

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

4-amino-N-[3-(difluoromethoxy)-4-methoxyphenyl]butanamide (PubChem CID 43712833) has the molecular formula C12H16F2N2O3 and a molecular weight of 274.27 g/mol. Its IUPAC name is 4-amino-N-[3-(difluoromethoxy)-4-methoxyphenyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[3-(difluoromethoxy)-4-methoxyphenyl]butanamide
PubChem CID43712833
Molecular FormulaC12H16F2N2O3
Molecular Weight274.27 g/mol
Exact Mass274.11
IUPAC Name4-amino-N-[3-(difluoromethoxy)-4-methoxyphenyl]butanamide
SMILESCOc1ccc(NC(=O)CCCN)cc1OC(F)F
InChIInChI=1S/C12H16F2N2O3/c1-18-9-5-4-8(7-10(9)19-12(13)14)16-11(17)3-2-6-15/h4-5,7,12H,2-3,6,15H2,1H3,(H,16,17)
InChIKeyTVLASOFVKRNNJT-UHFFFAOYSA-N
XLogP1.97
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[3-(difluoromethoxy)-4-methoxyphenyl]acetamide
CID 43712827
4-amino-N-[3-(difluoromethoxy)-4-methylphenyl]butanamide
CID 119325432
N-[3-(difluoromethoxy)-4-methoxyphenyl]-3,3-dimethylbutanamide
CID 46450594
4-amino-N-(3-ethyl-4-methoxyphenyl)butanamide
CID 98784022
N-(3,4-dimethoxyphenyl)-5-fluoropentanamide
CID 24786653
3-(4-tert-butylphenyl)-N-[3-(difluoromethoxy)-4-methoxyphenyl]propanamide
CID 18272953
3-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]propanamide;hydrochloride
CID 119295358
2-(2,4-dichlorophenyl)-N-[3-(difluoromethoxy)-4-methoxyphenyl]acetamide
CID 55539749
3-(2,3-dichlorophenyl)-N-[3-(difluoromethoxy)-4-methoxyphenyl]propanamide
CID 38939923
N-[3-[3-(difluoromethoxy)-4-methoxyanilino]-3-oxopropyl]cyclopentanecarboxamide
CID 38824177
N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(4-phenylphenyl)acetamide
CID 46540426
6-amino-N-(4-bromo-3-methoxyphenyl)hexanamide
CID 82867477

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-(difluoromethoxy)-4-methoxyphenyl]butanamide?
The IUPAC name of 4-amino-N-[3-(difluoromethoxy)-4-methoxyphenyl]butanamide (CID 43712833) is 4-amino-N-[3-(difluoromethoxy)-4-methoxyphenyl]butanamide.
What is the SMILES notation for 4-amino-N-[3-(difluoromethoxy)-4-methoxyphenyl]butanamide?
The canonical SMILES for 4-amino-N-[3-(difluoromethoxy)-4-methoxyphenyl]butanamide is COc1ccc(NC(=O)CCCN)cc1OC(F)F.
What is the InChIKey of 4-amino-N-[3-(difluoromethoxy)-4-methoxyphenyl]butanamide?
The InChIKey is TVLASOFVKRNNJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O3/c1-18-9-5-4-8(7-10(9)19-12(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-methoxyphenyl]butanamide?
4-amino-N-[3-(difluoromethoxy)-4-methoxyphenyl]butanamide has a molecular weight of 274.27 g/mol, XLogP of 1.97, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-(difluoromethoxy)-4-methoxyphenyl]butanamide is sourced from PubChem (CID 43712833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).