6-amino-3-butoxy-2,4-difluoro-N,N-dimethylbenzamide

C13H18F2N2O2 — CID 89234249

IUPAC6-amino-3-butoxy-2,4-difluoro-N,N-dimethylbenzamide
SMILESCCCCOc1c(F)cc(N)c(C(=O)N(C)C)c1F
InChIInChI=1S/C13H18F2N2O2/c1-4-5-6-19-12-8(14)7-9(16)10(11(12)15)13(18)17(2)3/h7H,4-6,16H2,1-3H3
InChIKeyICWZGHGDTYWZPG-UHFFFAOYSA-N
MW272.29 g/mol
LogP2.43
Rot. Bonds5

About 6-amino-3-butoxy-2,4-difluoro-N,N-dimethylbenzamide

6-amino-3-butoxy-2,4-difluoro-N,N-dimethylbenzamide (PubChem CID 89234249) has the molecular formula C13H18F2N2O2 and a molecular weight of 272.29 g/mol. Its IUPAC name is 6-amino-3-butoxy-2,4-difluoro-N,N-dimethylbenzamide.

Molecular Properties

Compound Name6-amino-3-butoxy-2,4-difluoro-N,N-dimethylbenzamide
PubChem CID89234249
Molecular FormulaC13H18F2N2O2
Molecular Weight272.29 g/mol
Exact Mass272.13
IUPAC Name6-amino-3-butoxy-2,4-difluoro-N,N-dimethylbenzamide
SMILESCCCCOc1c(F)cc(N)c(C(=O)N(C)C)c1F
InChIInChI=1S/C13H18F2N2O2/c1-4-5-6-19-12-8(14)7-9(16)10(11(12)15)13(18)17(2)3/h7H,4-6,16H2,1-3H3
InChIKeyICWZGHGDTYWZPG-UHFFFAOYSA-N
XLogP2.43
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.29
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2,3,5-trifluoro-4-hexoxyaniline
CID 118474907
2-amino-4,6-difluoro-N,N-dimethylbenzamide
CID 70098620
6-amino-2,3-difluoro-N,N-dimethylbenzamide
CID 70098378
ethyl 3-(4-butoxy-3,5-difluorophenyl)-2-methylpropanoate
CID 70643369
4-butoxy-2,3,5,6-tetrafluorobenzoic acid
CID 4771143
3-butoxy-1,2,4,5-tetrafluorobenzene
CID 22416140
methyl 4-butoxy-3,5-difluorobenzoate
CID 118685930
ethyl 2-(4-butoxy-3,5-difluorophenyl)acetate
CID 70827899
4-butoxy-5-fluorobenzene-1,2-diamine
CID 170437526
1-(3,5-difluoro-4-pentoxyphenyl)ethanone
CID 91657642
butyl 3-amino-2,6-difluorobenzoate
CID 70315596
4-butoxy-3,5-difluorobenzaldehyde
CID 79018256

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-butoxy-2,4-difluoro-N,N-dimethylbenzamide?
The IUPAC name of 6-amino-3-butoxy-2,4-difluoro-N,N-dimethylbenzamide (CID 89234249) is 6-amino-3-butoxy-2,4-difluoro-N,N-dimethylbenzamide.
What is the SMILES notation for 6-amino-3-butoxy-2,4-difluoro-N,N-dimethylbenzamide?
The canonical SMILES for 6-amino-3-butoxy-2,4-difluoro-N,N-dimethylbenzamide is CCCCOc1c(F)cc(N)c(C(=O)N(C)C)c1F.
What is the InChIKey of 6-amino-3-butoxy-2,4-difluoro-N,N-dimethylbenzamide?
The InChIKey is ICWZGHGDTYWZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O2/c1-4-5-6-19-12-8(14)7-9(16)10(11(12)15)13(18)17(2)3/h7H,4-6,16H2,1-3H3.
What are the key properties of 6-amino-3-butoxy-2,4-difluoro-N,N-dimethylbenzamide?
6-amino-3-butoxy-2,4-difluoro-N,N-dimethylbenzamide has a molecular weight of 272.29 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-butoxy-2,4-difluoro-N,N-dimethylbenzamide is sourced from PubChem (CID 89234249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).