3-(tert-butylamino)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpropanamide

C15H22ClFN2O — CID 60936879

IUPAC3-(tert-butylamino)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpropanamide
SMILESCN(Cc1c(F)cccc1Cl)C(=O)CCNC(C)(C)C
InChIInChI=1S/C15H22ClFN2O/c1-15(2,3)18-9-8-14(20)19(4)10-11-12(16)6-5-7-13(11)17/h5-7,18H,8-10H2,1-4H3
InChIKeyNLEQDFUEKCRCGV-UHFFFAOYSA-N
MW300.81 g/mol
LogP3.22
Rot. Bonds5

About 3-(tert-butylamino)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpropanamide

3-(tert-butylamino)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpropanamide (PubChem CID 60936879) has the molecular formula C15H22ClFN2O and a molecular weight of 300.81 g/mol. Its IUPAC name is 3-(tert-butylamino)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-(tert-butylamino)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpropanamide
PubChem CID60936879
Molecular FormulaC15H22ClFN2O
Molecular Weight300.81 g/mol
Exact Mass300.14
IUPAC Name3-(tert-butylamino)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpropanamide
SMILESCN(Cc1c(F)cccc1Cl)C(=O)CCNC(C)(C)C
InChIInChI=1S/C15H22ClFN2O/c1-15(2,3)18-9-8-14(20)19(4)10-11-12(16)6-5-7-13(11)17/h5-7,18H,8-10H2,1-4H3
InChIKeyNLEQDFUEKCRCGV-UHFFFAOYSA-N
XLogP3.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.81
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpropanamide
CID 43470580
N-[(2-chloro-6-fluorophenyl)methyl]-5-hydroxy-N-methylpentanamide
CID 79199252
6-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylhexanamide
CID 54869007
N-[3-[(2-chloro-6-fluorophenyl)methyl-methylamino]-3-oxopropyl]-2,4-difluorobenzamide
CID 18168559
N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
CID 60628558
N-[(2-chloro-6-fluorophenyl)methyl]-3-[(3-chlorophenyl)sulfonylamino]-N-methylpropanamide
CID 31182434
N-[(2-chloro-6-fluorophenyl)methyl]-3-(cyclohexylcarbamoylamino)-N-methylpropanamide
CID 18152189
N-[(2-chloro-6-fluorophenyl)methyl]-2-(4-chlorophenyl)sulfonyl-N-methylacetamide
CID 34391326
2-chloro-N-[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl]benzamide
CID 31182281
N-[(2-chloro-6-fluorophenyl)methyl]-3-(3,5-dimethoxyphenyl)-N-methylpropanamide
CID 94393869
2-(2-aminophenyl)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
CID 61115408
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-(4-phenylphenyl)acetamide
CID 2450064

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylamino)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpropanamide?
The IUPAC name of 3-(tert-butylamino)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpropanamide (CID 60936879) is 3-(tert-butylamino)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpropanamide.
What is the SMILES notation for 3-(tert-butylamino)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpropanamide?
The canonical SMILES for 3-(tert-butylamino)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpropanamide is CN(Cc1c(F)cccc1Cl)C(=O)CCNC(C)(C)C.
What is the InChIKey of 3-(tert-butylamino)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpropanamide?
The InChIKey is NLEQDFUEKCRCGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClFN2O/c1-15(2,3)18-9-8-14(20)19(4)10-11-12(16)6-5-7-13(11)17/h5-7,18H,8-10H2,1-4H3.
What are the key properties of 3-(tert-butylamino)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpropanamide?
3-(tert-butylamino)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpropanamide has a molecular weight of 300.81 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylamino)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpropanamide is sourced from PubChem (CID 60936879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).