2-[(3-amino-4-methylpentyl)-methylamino]-5-fluorobenzamide

C14H22FN3O — CID 115318269

IUPAC2-[(3-amino-4-methylpentyl)-methylamino]-5-fluorobenzamide
SMILESCC(C)C(N)CCN(C)c1ccc(F)cc1C(N)=O
InChIInChI=1S/C14H22FN3O/c1-9(2)12(16)6-7-18(3)13-5-4-10(15)8-11(13)14(17)19/h4-5,8-9,12H,6-7,16H2,1-3H3,(H2,17,19)
InChIKeyFVDCSNNEGCSQSR-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.73
Rot. Bonds6

About 2-[(3-amino-4-methylpentyl)-methylamino]-5-fluorobenzamide

2-[(3-amino-4-methylpentyl)-methylamino]-5-fluorobenzamide (PubChem CID 115318269) has the molecular formula C14H22FN3O and a molecular weight of 267.35 g/mol. Its IUPAC name is 2-[(3-amino-4-methylpentyl)-methylamino]-5-fluorobenzamide.

Molecular Properties

Compound Name2-[(3-amino-4-methylpentyl)-methylamino]-5-fluorobenzamide
PubChem CID115318269
Molecular FormulaC14H22FN3O
Molecular Weight267.35 g/mol
Exact Mass267.17
IUPAC Name2-[(3-amino-4-methylpentyl)-methylamino]-5-fluorobenzamide
SMILESCC(C)C(N)CCN(C)c1ccc(F)cc1C(N)=O
InChIInChI=1S/C14H22FN3O/c1-9(2)12(16)6-7-18(3)13-5-4-10(15)8-11(13)14(17)19/h4-5,8-9,12H,6-7,16H2,1-3H3,(H2,17,19)
InChIKeyFVDCSNNEGCSQSR-UHFFFAOYSA-N
XLogP1.73
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-amino-4-methylpentyl)-methylamino]-5-nitrobenzamide
CID 115318061
4-[(3-amino-4-methylpentyl)-methylamino]-3-bromobenzamide
CID 82809011
N-(3-amino-4-methylpentyl)-2,5-difluoro-N-methylbenzamide;hydrochloride
CID 119658393
4-[(3-amino-4-methylpentyl)-methylamino]-3-chlorobenzamide
CID 115318126
5-amino-2-[methyl(3-methylbutyl)amino]benzamide
CID 61429127
4-[(3-amino-4-methylpentyl)-methylamino]-2-bromobenzamide
CID 107280889
N-(3-amino-4-methylpentyl)-5-fluoro-N-methyl-2-nitrobenzamide;hydrochloride
CID 119659936
2-(2-carbamothioyl-4-fluoro-N-methylanilino)acetamide
CID 63672665
N-(3-amino-4-methylpentyl)-4-fluoro-N-methylbenzamide
CID 81484690
1-[2-[3-(dimethylamino)propyl-methylamino]-5-fluorophenyl]ethanone
CID 63694387
methyl 3-(2-carbamothioyl-4-fluoro-N-methylanilino)propanoate
CID 63672514
1-N-[(2,4-difluorophenyl)methyl]-1-N,4-dimethylpentane-1,3-diamine
CID 81490420

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-4-methylpentyl)-methylamino]-5-fluorobenzamide?
The IUPAC name of 2-[(3-amino-4-methylpentyl)-methylamino]-5-fluorobenzamide (CID 115318269) is 2-[(3-amino-4-methylpentyl)-methylamino]-5-fluorobenzamide.
What is the SMILES notation for 2-[(3-amino-4-methylpentyl)-methylamino]-5-fluorobenzamide?
The canonical SMILES for 2-[(3-amino-4-methylpentyl)-methylamino]-5-fluorobenzamide is CC(C)C(N)CCN(C)c1ccc(F)cc1C(N)=O.
What is the InChIKey of 2-[(3-amino-4-methylpentyl)-methylamino]-5-fluorobenzamide?
The InChIKey is FVDCSNNEGCSQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3O/c1-9(2)12(16)6-7-18(3)13-5-4-10(15)8-11(13)14(17)19/h4-5,8-9,12H,6-7,16H2,1-3H3,(H2,17,19).
What are the key properties of 2-[(3-amino-4-methylpentyl)-methylamino]-5-fluorobenzamide?
2-[(3-amino-4-methylpentyl)-methylamino]-5-fluorobenzamide has a molecular weight of 267.35 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-4-methylpentyl)-methylamino]-5-fluorobenzamide is sourced from PubChem (CID 115318269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).