2-amino-5-[(2,2-dimethyloxan-4-yl)amino]-4-fluorobenzamide

C14H20FN3O2 — CID 83039019

IUPAC2-amino-5-[(2,2-dimethyloxan-4-yl)amino]-4-fluorobenzamide
SMILESCC1(C)CC(Nc2cc(C(N)=O)c(N)cc2F)CCO1
InChIInChI=1S/C14H20FN3O2/c1-14(2)7-8(3-4-20-14)18-12-5-9(13(17)19)11(16)6-10(12)15/h5-6,8,18H,3-4,7,16H2,1-2H3,(H2,17,19)
InChIKeyIRWJSDWZLPQNLY-UHFFFAOYSA-N
MW281.33 g/mol
LogP1.88
Rot. Bonds3

About 2-amino-5-[(2,2-dimethyloxan-4-yl)amino]-4-fluorobenzamide

2-amino-5-[(2,2-dimethyloxan-4-yl)amino]-4-fluorobenzamide (PubChem CID 83039019) has the molecular formula C14H20FN3O2 and a molecular weight of 281.33 g/mol. Its IUPAC name is 2-amino-5-[(2,2-dimethyloxan-4-yl)amino]-4-fluorobenzamide.

Molecular Properties

Compound Name2-amino-5-[(2,2-dimethyloxan-4-yl)amino]-4-fluorobenzamide
PubChem CID83039019
Molecular FormulaC14H20FN3O2
Molecular Weight281.33 g/mol
Exact Mass281.15
IUPAC Name2-amino-5-[(2,2-dimethyloxan-4-yl)amino]-4-fluorobenzamide
SMILESCC1(C)CC(Nc2cc(C(N)=O)c(N)cc2F)CCO1
InChIInChI=1S/C14H20FN3O2/c1-14(2)7-8(3-4-20-14)18-12-5-9(13(17)19)11(16)6-10(12)15/h5-6,8,18H,3-4,7,16H2,1-2H3,(H2,17,19)
InChIKeyIRWJSDWZLPQNLY-UHFFFAOYSA-N
XLogP1.88
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-1-N-(2,2-dimethyloxan-4-yl)-5-fluorobenzene-1,2-diamine
CID 83027020
4-chloro-1-N-(2,2-dimethyloxan-4-yl)benzene-1,2-diamine
CID 83027979
2-[(2,2-dimethyloxan-4-yl)amino]-5-methylbenzenecarbothioamide
CID 107929208
6-[(2,2-dimethyloxan-4-yl)amino]pyridine-3-carboxamide
CID 113336597
3-amino-2-[(2,2-dimethyloxan-4-yl)amino]benzoic acid
CID 112579411
3-amino-4-[(2,2-dimethyloxan-4-yl)amino]benzenesulfonamide
CID 83027581
5-amino-N-(2,2-dimethyloxan-4-yl)-2,4-difluorobenzenesulfonamide
CID 83034972
3-amino-N-(2,2-dimethyloxan-4-yl)-2,6-difluorobenzamide
CID 83027170
1-N-(2,2-dimethyloxan-4-yl)-2-methylbenzene-1,4-diamine
CID 83028141
2-amino-5-[(2,4-dimethylcyclohexyl)amino]-4-fluorobenzamide
CID 63998408
ethyl 2-amino-3-[(2,2-dimethyloxan-4-yl)amino]benzoate
CID 83035256
1-N-(2,2-dimethyloxan-4-yl)-2-iodobenzene-1,4-diamine
CID 83027343

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[(2,2-dimethyloxan-4-yl)amino]-4-fluorobenzamide?
The IUPAC name of 2-amino-5-[(2,2-dimethyloxan-4-yl)amino]-4-fluorobenzamide (CID 83039019) is 2-amino-5-[(2,2-dimethyloxan-4-yl)amino]-4-fluorobenzamide.
What is the SMILES notation for 2-amino-5-[(2,2-dimethyloxan-4-yl)amino]-4-fluorobenzamide?
The canonical SMILES for 2-amino-5-[(2,2-dimethyloxan-4-yl)amino]-4-fluorobenzamide is CC1(C)CC(Nc2cc(C(N)=O)c(N)cc2F)CCO1.
What is the InChIKey of 2-amino-5-[(2,2-dimethyloxan-4-yl)amino]-4-fluorobenzamide?
The InChIKey is IRWJSDWZLPQNLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O2/c1-14(2)7-8(3-4-20-14)18-12-5-9(13(17)19)11(16)6-10(12)15/h5-6,8,18H,3-4,7,16H2,1-2H3,(H2,17,19).
What are the key properties of 2-amino-5-[(2,2-dimethyloxan-4-yl)amino]-4-fluorobenzamide?
2-amino-5-[(2,2-dimethyloxan-4-yl)amino]-4-fluorobenzamide has a molecular weight of 281.33 g/mol, XLogP of 1.88, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[(2,2-dimethyloxan-4-yl)amino]-4-fluorobenzamide is sourced from PubChem (CID 83039019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).