2-(1-aminopentan-2-ylamino)-6-fluorobenzamide

C12H18FN3O — CID 79522229

IUPAC2-(1-aminopentan-2-ylamino)-6-fluorobenzamide
SMILESCCCC(CN)Nc1cccc(F)c1C(N)=O
InChIInChI=1S/C12H18FN3O/c1-2-4-8(7-14)16-10-6-3-5-9(13)11(10)12(15)17/h3,5-6,8,16H,2,4,7,14H2,1H3,(H2,15,17)
InChIKeyUCVCGFLSWKJUNQ-UHFFFAOYSA-N
MW239.29 g/mol
LogP1.46
Rot. Bonds6

About 2-(1-aminopentan-2-ylamino)-6-fluorobenzamide

2-(1-aminopentan-2-ylamino)-6-fluorobenzamide (PubChem CID 79522229) has the molecular formula C12H18FN3O and a molecular weight of 239.29 g/mol. Its IUPAC name is 2-(1-aminopentan-2-ylamino)-6-fluorobenzamide.

Molecular Properties

Compound Name2-(1-aminopentan-2-ylamino)-6-fluorobenzamide
PubChem CID79522229
Molecular FormulaC12H18FN3O
Molecular Weight239.29 g/mol
Exact Mass239.14
IUPAC Name2-(1-aminopentan-2-ylamino)-6-fluorobenzamide
SMILESCCCC(CN)Nc1cccc(F)c1C(N)=O
InChIInChI=1S/C12H18FN3O/c1-2-4-8(7-14)16-10-6-3-5-9(13)11(10)12(15)17/h3,5-6,8,16H,2,4,7,14H2,1H3,(H2,15,17)
InChIKeyUCVCGFLSWKJUNQ-UHFFFAOYSA-N
XLogP1.46
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-carbamoyl-3-fluoroanilino)methyl]pentanoic acid
CID 79513291
2-[(2-carbamoyl-3-fluoroanilino)methyl]butanoic acid
CID 79513210
4-(1-aminopentan-2-ylamino)-2,6-dimethylpyridine-3-carboxamide
CID 81051498
2-N-(2-fluorophenyl)nonane-1,2-diamine
CID 65377519
2-(2-carbamoyl-3-fluoroanilino)-2-methylpentanoic acid
CID 79512716
2-[(2-amino-1-cyclohexylethyl)amino]-6-fluorobenzamide
CID 115309592
2-(2,3-difluoroanilino)butanamide
CID 62900030
2-(2-carbamoyl-3-fluoroanilino)-5-methoxypentanoic acid
CID 81078963
2-N-(2-bromophenyl)pentane-1,2-diamine
CID 65385114
2-[(2-amino-3-hydroxybutyl)amino]-6-fluorobenzamide
CID 79521990
N-(2-carbamothioyl-3-fluorophenyl)-2-propylpentanamide
CID 82985432
N-(1-aminopentan-2-yl)-2,6-difluorobenzenesulfonamide
CID 65192915

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminopentan-2-ylamino)-6-fluorobenzamide?
The IUPAC name of 2-(1-aminopentan-2-ylamino)-6-fluorobenzamide (CID 79522229) is 2-(1-aminopentan-2-ylamino)-6-fluorobenzamide.
What is the SMILES notation for 2-(1-aminopentan-2-ylamino)-6-fluorobenzamide?
The canonical SMILES for 2-(1-aminopentan-2-ylamino)-6-fluorobenzamide is CCCC(CN)Nc1cccc(F)c1C(N)=O.
What is the InChIKey of 2-(1-aminopentan-2-ylamino)-6-fluorobenzamide?
The InChIKey is UCVCGFLSWKJUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O/c1-2-4-8(7-14)16-10-6-3-5-9(13)11(10)12(15)17/h3,5-6,8,16H,2,4,7,14H2,1H3,(H2,15,17).
What are the key properties of 2-(1-aminopentan-2-ylamino)-6-fluorobenzamide?
2-(1-aminopentan-2-ylamino)-6-fluorobenzamide has a molecular weight of 239.29 g/mol, XLogP of 1.46, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminopentan-2-ylamino)-6-fluorobenzamide is sourced from PubChem (CID 79522229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).