N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2-fluoro-3-methylbenzamide

C15H23FN2O — CID 81477271

IUPACN-(3-amino-2,2-dimethylpropyl)-N-ethyl-2-fluoro-3-methylbenzamide
SMILESCCN(CC(C)(C)CN)C(=O)c1cccc(C)c1F
InChIInChI=1S/C15H23FN2O/c1-5-18(10-15(3,4)9-17)14(19)12-8-6-7-11(2)13(12)16/h6-8H,5,9-10,17H2,1-4H3
InChIKeyZFUILYVPTLMJIC-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.58
Rot. Bonds5

About N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2-fluoro-3-methylbenzamide

N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2-fluoro-3-methylbenzamide (PubChem CID 81477271) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2-fluoro-3-methylbenzamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-N-ethyl-2-fluoro-3-methylbenzamide
PubChem CID81477271
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-N-ethyl-2-fluoro-3-methylbenzamide
SMILESCCN(CC(C)(C)CN)C(=O)c1cccc(C)c1F
InChIInChI=1S/C15H23FN2O/c1-5-18(10-15(3,4)9-17)14(19)12-8-6-7-11(2)13(12)16/h6-8H,5,9-10,17H2,1-4H3
InChIKeyZFUILYVPTLMJIC-UHFFFAOYSA-N
XLogP2.58
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-diethyl-2-fluoro-3-methylbenzamide
CID 80718588
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2-iodobenzamide
CID 79668481
N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-fluoro-3-methylbenzamide
CID 80710544
N-(3-amino-2,2-dimethylpropyl)-2-chloro-N-ethyl-4-fluorobenzamide
CID 79668411
N-(3-amino-2,2-dimethylpropyl)-N,2,3-trimethylbenzamide
CID 79652302
2-[(2-fluoro-3-methylbenzoyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 81481850
3-chloro-N,N-diethyl-2-fluorobenzamide
CID 80949009
N-butyl-2-fluoro-3-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 80719091
N-(3-amino-2,2-dimethylpropyl)-4-chloro-N-ethyl-2,5-difluorobenzamide
CID 82773249
N-(3-amino-2,2-dimethylpropyl)-N,2-dimethylbenzamide
CID 79652872
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-3-hydroxybenzamide
CID 79667906
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2-methoxy-5-methylbenzamide
CID 79667751

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2-fluoro-3-methylbenzamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2-fluoro-3-methylbenzamide (CID 81477271) is N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2-fluoro-3-methylbenzamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2-fluoro-3-methylbenzamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2-fluoro-3-methylbenzamide is CCN(CC(C)(C)CN)C(=O)c1cccc(C)c1F.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2-fluoro-3-methylbenzamide?
The InChIKey is ZFUILYVPTLMJIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-5-18(10-15(3,4)9-17)14(19)12-8-6-7-11(2)13(12)16/h6-8H,5,9-10,17H2,1-4H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2-fluoro-3-methylbenzamide?
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2-fluoro-3-methylbenzamide has a molecular weight of 266.36 g/mol, XLogP of 2.58, 5 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)-N-ethyl-2-fluoro-3-methylbenzamide is sourced from PubChem (CID 81477271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).