3-amino-5-fluoro-N,4-dimethyl-N-pentan-3-ylbenzamide

C14H21FN2O — CID 60861699

IUPAC3-amino-5-fluoro-N,4-dimethyl-N-pentan-3-ylbenzamide
SMILESCCC(CC)N(C)C(=O)c1cc(N)c(C)c(F)c1
InChIInChI=1S/C14H21FN2O/c1-5-11(6-2)17(4)14(18)10-7-12(15)9(3)13(16)8-10/h7-8,11H,5-6,16H2,1-4H3
InChIKeyOICXSBTYVQEJDF-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.98
Rot. Bonds4

About 3-amino-5-fluoro-N,4-dimethyl-N-pentan-3-ylbenzamide

3-amino-5-fluoro-N,4-dimethyl-N-pentan-3-ylbenzamide (PubChem CID 60861699) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 3-amino-5-fluoro-N,4-dimethyl-N-pentan-3-ylbenzamide.

Molecular Properties

Compound Name3-amino-5-fluoro-N,4-dimethyl-N-pentan-3-ylbenzamide
PubChem CID60861699
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name3-amino-5-fluoro-N,4-dimethyl-N-pentan-3-ylbenzamide
SMILESCCC(CC)N(C)C(=O)c1cc(N)c(C)c(F)c1
InChIInChI=1S/C14H21FN2O/c1-5-11(6-2)17(4)14(18)10-7-12(15)9(3)13(16)8-10/h7-8,11H,5-6,16H2,1-4H3
InChIKeyOICXSBTYVQEJDF-UHFFFAOYSA-N
XLogP2.98
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N,4-dimethyl-N-pentan-3-ylbenzamide
CID 43570555
3-amino-N-ethyl-5-fluoro-4-methyl-N-propylbenzamide
CID 54927290
3-amino-5-fluoro-N-(2-hydroxyethyl)-N,4-dimethylbenzamide
CID 60862359
3-amino-N-[2-(ethylamino)-2-oxoethyl]-5-fluoro-N,4-dimethylbenzamide
CID 61116787
4-fluoro-N,3-dimethyl-N-pentan-3-ylbenzamide
CID 63212442
4-amino-3,5-dichloro-N-methyl-N-pentan-3-ylbenzamide
CID 82832777
3-amino-5-fluoro-4-methyl-N-propylbenzamide
CID 60861174
3-amino-5-fluoro-N,4-dimethyl-N-(3-methylsulfanylpropyl)benzamide
CID 114236428
3-amino-5-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N,4-dimethylbenzamide
CID 114946695
3-amino-5-fluoro-N-[(2-hydroxyphenyl)methyl]-N,4-dimethylbenzamide
CID 61116652
4-amino-3,5-difluoro-N-(1-hydroxypropan-2-yl)-N-methylbenzamide
CID 104554287
propyl 3-amino-5-fluoro-4-methylbenzoate
CID 61308274

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-fluoro-N,4-dimethyl-N-pentan-3-ylbenzamide?
The IUPAC name of 3-amino-5-fluoro-N,4-dimethyl-N-pentan-3-ylbenzamide (CID 60861699) is 3-amino-5-fluoro-N,4-dimethyl-N-pentan-3-ylbenzamide.
What is the SMILES notation for 3-amino-5-fluoro-N,4-dimethyl-N-pentan-3-ylbenzamide?
The canonical SMILES for 3-amino-5-fluoro-N,4-dimethyl-N-pentan-3-ylbenzamide is CCC(CC)N(C)C(=O)c1cc(N)c(C)c(F)c1.
What is the InChIKey of 3-amino-5-fluoro-N,4-dimethyl-N-pentan-3-ylbenzamide?
The InChIKey is OICXSBTYVQEJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-5-11(6-2)17(4)14(18)10-7-12(15)9(3)13(16)8-10/h7-8,11H,5-6,16H2,1-4H3.
What are the key properties of 3-amino-5-fluoro-N,4-dimethyl-N-pentan-3-ylbenzamide?
3-amino-5-fluoro-N,4-dimethyl-N-pentan-3-ylbenzamide has a molecular weight of 252.33 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-fluoro-N,4-dimethyl-N-pentan-3-ylbenzamide is sourced from PubChem (CID 60861699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).