2-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-propan-2-ylacetamide

C12H16ClFN2O — CID 39359888

IUPAC2-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-propan-2-ylacetamide
SMILESCC(C)N(Cc1c(F)cccc1Cl)C(=O)CN
InChIInChI=1S/C12H16ClFN2O/c1-8(2)16(12(17)6-15)7-9-10(13)4-3-5-11(9)14/h3-5,8H,6-7,15H2,1-2H3
InChIKeyGJLDLZNKDCULGS-UHFFFAOYSA-N
MW258.72 g/mol
LogP2.17
Rot. Bonds4

About 2-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-propan-2-ylacetamide

2-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-propan-2-ylacetamide (PubChem CID 39359888) has the molecular formula C12H16ClFN2O and a molecular weight of 258.72 g/mol. Its IUPAC name is 2-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-propan-2-ylacetamide
PubChem CID39359888
Molecular FormulaC12H16ClFN2O
Molecular Weight258.72 g/mol
Exact Mass258.09
IUPAC Name2-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-propan-2-ylacetamide
SMILESCC(C)N(Cc1c(F)cccc1Cl)C(=O)CN
InChIInChI=1S/C12H16ClFN2O/c1-8(2)16(12(17)6-15)7-9-10(13)4-3-5-11(9)14/h3-5,8H,6-7,15H2,1-2H3
InChIKeyGJLDLZNKDCULGS-UHFFFAOYSA-N
XLogP2.17
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.72
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromoethyl)-2-(2-chloro-6-fluorophenyl)-N-propan-2-ylacetamide
CID 80666192
2-amino-N-[(2,5-dichlorophenyl)methyl]-N-propan-2-ylacetamide
CID 66568195
(2S)-2-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpropanamide;hydrochloride
CID 119267721
N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
CID 60628558
(2S)-2-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N,3-dimethylbutanamide
CID 61165388
6-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylhexanamide
CID 54869007
3-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-2-methylpropanamide
CID 55104653
1-[(2-chloro-6-fluorophenyl)methyl-methylamino]propan-2-ol
CID 62333927
3-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-propan-2-ylpropan-1-amine
CID 63389222
2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-ethylacetamide
CID 66567844
3-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpropanamide
CID 43470580
2-(2-chloro-6-fluorophenyl)-N-ethyl-N-[(2R)-1-ethylsulfonylpropan-2-yl]acetamide
CID 95322200

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-propan-2-ylacetamide?
The IUPAC name of 2-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-propan-2-ylacetamide (CID 39359888) is 2-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-propan-2-ylacetamide is CC(C)N(Cc1c(F)cccc1Cl)C(=O)CN.
What is the InChIKey of 2-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-propan-2-ylacetamide?
The InChIKey is GJLDLZNKDCULGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFN2O/c1-8(2)16(12(17)6-15)7-9-10(13)4-3-5-11(9)14/h3-5,8H,6-7,15H2,1-2H3.
What are the key properties of 2-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-propan-2-ylacetamide?
2-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-propan-2-ylacetamide has a molecular weight of 258.72 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-propan-2-ylacetamide is sourced from PubChem (CID 39359888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).