2-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-fluorobenzamide

C14H22FN3O — CID 62649866

IUPAC2-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-fluorobenzamide
SMILESCN(C)CC(C)(C)CNC(=O)c1cccc(F)c1N
InChIInChI=1S/C14H22FN3O/c1-14(2,9-18(3)4)8-17-13(19)10-6-5-7-11(15)12(10)16/h5-7H,8-9,16H2,1-4H3,(H,17,19)
InChIKeyFPXSAHTZSUZJAS-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.73
Rot. Bonds5

About 2-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-fluorobenzamide

2-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-fluorobenzamide (PubChem CID 62649866) has the molecular formula C14H22FN3O and a molecular weight of 267.35 g/mol. Its IUPAC name is 2-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-fluorobenzamide.

Molecular Properties

Compound Name2-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-fluorobenzamide
PubChem CID62649866
Molecular FormulaC14H22FN3O
Molecular Weight267.35 g/mol
Exact Mass267.17
IUPAC Name2-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-fluorobenzamide
SMILESCN(C)CC(C)(C)CNC(=O)c1cccc(F)c1N
InChIInChI=1S/C14H22FN3O/c1-14(2,9-18(3)4)8-17-13(19)10-6-5-7-11(15)12(10)16/h5-7H,8-9,16H2,1-4H3,(H,17,19)
InChIKeyFPXSAHTZSUZJAS-UHFFFAOYSA-N
XLogP1.73
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-fluorobenzamide
CID 106148349
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(ethylamino)-3-fluorobenzamide
CID 62650035
2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-fluorobenzamide
CID 106276529
2-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzamide;dihydrochloride
CID 119946092
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-fluoro-4-hydroxybenzamide
CID 103939907
N-(3-amino-2,2-dimethylpropyl)-2,3-difluorobenzamide
CID 115365588
2-amino-3-fluoro-N-(2,2,3,3-tetrafluoropropyl)benzamide
CID 106291883
2-amino-3-fluoro-N-[(2R)-2-hydroxypropyl]benzamide
CID 96696408
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-nitrosobenzamide
CID 89135948
2-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-fluorobenzamide
CID 106143245
2-amino-3-fluoro-N',N'-dimethylbenzohydrazide
CID 83021184
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-hydrazinylpyridine-3-carboxamide
CID 62235756

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-fluorobenzamide?
The IUPAC name of 2-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-fluorobenzamide (CID 62649866) is 2-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-fluorobenzamide.
What is the SMILES notation for 2-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-fluorobenzamide?
The canonical SMILES for 2-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-fluorobenzamide is CN(C)CC(C)(C)CNC(=O)c1cccc(F)c1N.
What is the InChIKey of 2-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-fluorobenzamide?
The InChIKey is FPXSAHTZSUZJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3O/c1-14(2,9-18(3)4)8-17-13(19)10-6-5-7-11(15)12(10)16/h5-7H,8-9,16H2,1-4H3,(H,17,19).
What are the key properties of 2-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-fluorobenzamide?
2-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-fluorobenzamide has a molecular weight of 267.35 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-fluorobenzamide is sourced from PubChem (CID 62649866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).