(2S)-2-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpentanamide

C13H18ClFN2O — CID 93367493

IUPAC(2S)-2-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpentanamide
SMILESCCC[C@H](N)C(=O)N(C)Cc1c(F)cccc1Cl
InChIInChI=1S/C13H18ClFN2O/c1-3-5-12(16)13(18)17(2)8-9-10(14)6-4-7-11(9)15/h4,6-7,12H,3,5,8,16H2,1-2H3/t12-/m0/s1
InChIKeyAXTIRXDWSODHDX-LBPRGKRZSA-N
MW272.75 g/mol
LogP2.56
Rot. Bonds5

About (2S)-2-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpentanamide

(2S)-2-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpentanamide (PubChem CID 93367493) has the molecular formula C13H18ClFN2O and a molecular weight of 272.75 g/mol. Its IUPAC name is (2S)-2-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpentanamide
PubChem CID93367493
Molecular FormulaC13H18ClFN2O
Molecular Weight272.75 g/mol
Exact Mass272.11
IUPAC Name(2S)-2-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpentanamide
SMILESCCC[C@H](N)C(=O)N(C)Cc1c(F)cccc1Cl
InChIInChI=1S/C13H18ClFN2O/c1-3-5-12(16)13(18)17(2)8-9-10(14)6-4-7-11(9)15/h4,6-7,12H,3,5,8,16H2,1-2H3/t12-/m0/s1
InChIKeyAXTIRXDWSODHDX-LBPRGKRZSA-N
XLogP2.56
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.75
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpentanamide
CID 65229679
(2S)-2-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpropanamide;hydrochloride
CID 119267721
(2S)-2-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N,3-dimethylbutanamide
CID 61165388
2-amino-N-[(2-fluorophenyl)methyl]-N-methylpentanamide
CID 43650342
N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
CID 60628558
3-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpropanamide
CID 43470580
4-N-[(2-chloro-6-fluorophenyl)methyl]-4-N-methylbenzene-1,4-dicarboxamide
CID 39910131
2-amino-N-[(2,6-dichlorophenyl)methyl]-N-methylpropanamide
CID 77144367
2-(aminomethyl)-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpentanamide
CID 65230216
(2R)-N-[(2-chloro-6-fluorophenyl)methyl]-2-(ethylsulfonylamino)-N-methyl-4-methylsulfanylbutanamide
CID 95305607
2-amino-N-[(2-chlorophenyl)methyl]-N-methylhexanamide
CID 54869039
6-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylhexanamide
CID 54869007

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpentanamide (CID 93367493) is (2S)-2-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpentanamide is CCC[C@H](N)C(=O)N(C)Cc1c(F)cccc1Cl.
What is the InChIKey of (2S)-2-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpentanamide?
The InChIKey is AXTIRXDWSODHDX-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H18ClFN2O/c1-3-5-12(16)13(18)17(2)8-9-10(14)6-4-7-11(9)15/h4,6-7,12H,3,5,8,16H2,1-2H3/t12-/m0/s1.
What are the key properties of (2S)-2-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpentanamide?
(2S)-2-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpentanamide has a molecular weight of 272.75 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpentanamide is sourced from PubChem (CID 93367493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).