N-(3-amino-2,2-dimethylpropyl)-2-fluoro-5-methyl-N-propylbenzamide

C16H25FN2O — CID 79667349

IUPACN-(3-amino-2,2-dimethylpropyl)-2-fluoro-5-methyl-N-propylbenzamide
SMILESCCCN(CC(C)(C)CN)C(=O)c1cc(C)ccc1F
InChIInChI=1S/C16H25FN2O/c1-5-8-19(11-16(3,4)10-18)15(20)13-9-12(2)6-7-14(13)17/h6-7,9H,5,8,10-11,18H2,1-4H3
InChIKeyUHPKEDNFSHMCFR-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.97
Rot. Bonds6

About N-(3-amino-2,2-dimethylpropyl)-2-fluoro-5-methyl-N-propylbenzamide

N-(3-amino-2,2-dimethylpropyl)-2-fluoro-5-methyl-N-propylbenzamide (PubChem CID 79667349) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-2-fluoro-5-methyl-N-propylbenzamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-2-fluoro-5-methyl-N-propylbenzamide
PubChem CID79667349
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-2-fluoro-5-methyl-N-propylbenzamide
SMILESCCCN(CC(C)(C)CN)C(=O)c1cc(C)ccc1F
InChIInChI=1S/C16H25FN2O/c1-5-8-19(11-16(3,4)10-18)15(20)13-9-12(2)6-7-14(13)17/h6-7,9H,5,8,10-11,18H2,1-4H3
InChIKeyUHPKEDNFSHMCFR-UHFFFAOYSA-N
XLogP2.97
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-2,4-dimethyl-N-propylbenzamide
CID 79667849
N-(2-aminoethyl)-2-fluoro-5-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 107493456
N-(3-amino-2,2-dimethylpropyl)-5-fluoro-2-hydroxy-N-propylbenzamide
CID 115299448
N-(3-amino-2,2-dimethylpropyl)-3-chloro-4-fluoro-N-propylbenzamide
CID 82878831
N-(3-amino-2,2-dimethylpropyl)-2-bromo-5-fluoro-N-propylbenzamide
CID 79668083
2-fluoro-4-methyl-N-propyl-N-(2,2,2-trifluoroethyl)benzamide
CID 79786127
N-ethyl-2-fluoro-N-(2-hydroxy-2-methylpropyl)-5-methylbenzamide
CID 79381420
N-(2-amino-2-hydroxyiminoethyl)-2-fluoro-5-methyl-N-propylbenzamide
CID 76945669
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2-methoxy-5-methylbenzamide
CID 79667751
N-(3-amino-2,2-dimethylpropyl)-3,5-dichloro-N-propylbenzamide
CID 79668340
N-ethyl-2-fluoro-4-methyl-N-propylbenzamide
CID 79779356
N-(3-amino-2,2-dimethylpropyl)-2-bromo-6-fluoro-N-propylbenzamide
CID 114560250

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-2-fluoro-5-methyl-N-propylbenzamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-2-fluoro-5-methyl-N-propylbenzamide (CID 79667349) is N-(3-amino-2,2-dimethylpropyl)-2-fluoro-5-methyl-N-propylbenzamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-2-fluoro-5-methyl-N-propylbenzamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-2-fluoro-5-methyl-N-propylbenzamide is CCCN(CC(C)(C)CN)C(=O)c1cc(C)ccc1F.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-2-fluoro-5-methyl-N-propylbenzamide?
The InChIKey is UHPKEDNFSHMCFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-5-8-19(11-16(3,4)10-18)15(20)13-9-12(2)6-7-14(13)17/h6-7,9H,5,8,10-11,18H2,1-4H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-2-fluoro-5-methyl-N-propylbenzamide?
N-(3-amino-2,2-dimethylpropyl)-2-fluoro-5-methyl-N-propylbenzamide has a molecular weight of 280.39 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-2-fluoro-5-methyl-N-propylbenzamide is sourced from PubChem (CID 79667349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).