2-amino-N-[(2-chloro-6-fluorophenyl)methyl]-3-methoxy-N-methylpropanamide

C12H16ClFN2O2 — CID 81082729

IUPAC2-amino-N-[(2-chloro-6-fluorophenyl)methyl]-3-methoxy-N-methylpropanamide
SMILESCOCC(N)C(=O)N(C)Cc1c(F)cccc1Cl
InChIInChI=1S/C12H16ClFN2O2/c1-16(12(17)11(15)7-18-2)6-8-9(13)4-3-5-10(8)14/h3-5,11H,6-7,15H2,1-2H3
InChIKeyGZVKHQQNOVDSHV-UHFFFAOYSA-N
MW274.72 g/mol
LogP1.41
Rot. Bonds5

About 2-amino-N-[(2-chloro-6-fluorophenyl)methyl]-3-methoxy-N-methylpropanamide

2-amino-N-[(2-chloro-6-fluorophenyl)methyl]-3-methoxy-N-methylpropanamide (PubChem CID 81082729) has the molecular formula C12H16ClFN2O2 and a molecular weight of 274.72 g/mol. Its IUPAC name is 2-amino-N-[(2-chloro-6-fluorophenyl)methyl]-3-methoxy-N-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-[(2-chloro-6-fluorophenyl)methyl]-3-methoxy-N-methylpropanamide
PubChem CID81082729
Molecular FormulaC12H16ClFN2O2
Molecular Weight274.72 g/mol
Exact Mass274.09
IUPAC Name2-amino-N-[(2-chloro-6-fluorophenyl)methyl]-3-methoxy-N-methylpropanamide
SMILESCOCC(N)C(=O)N(C)Cc1c(F)cccc1Cl
InChIInChI=1S/C12H16ClFN2O2/c1-16(12(17)11(15)7-18-2)6-8-9(13)4-3-5-10(8)14/h3-5,11H,6-7,15H2,1-2H3
InChIKeyGZVKHQQNOVDSHV-UHFFFAOYSA-N
XLogP1.41
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.72
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(R)-2-Amino-N-benzyl-3-methoxypropionamide
CID 10104501
N-(2-chloro-4-fluorobenzyl)-1-isopropyl-5-oxoprolinamide
CID 20968164
(S)-N-(2-chloro-4-fluorobenzyl)-N-(pyrrolidin-3-yl)isobutyramide
CID 11623560
(4S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-2-oxo-1,3-oxazolidine-4-carboxamide
CID 25020193
N-[(2-chloro-4-fluorophenyl)methyl]-1-(1-methylethyl)-5-oxo-prolinamide
CID 49864875
N-[(2-chloro-4-fluorophenyl)methyl]-1-ethyl-5-oxoprolinamide
CID 49864911
(2S)-N-[(2-chloro-4-fluorophenyl)methyl]-5-oxo-1-propylpyrrolidine-2-carboxamide
CID 49864912
N-[(2-chloro-4-fluorophenyl)methyl]-1-ethyl-5-oxo-D-prolinamide
CID 49865054
(2S)-N-(2-chloro-4-fluorobenzyl)-1-ethylpyrrolidine-2-carboxamide
CID 49865009
(2S)-1-acetyl-N-[(2-chloro-4-fluorophenyl)methyl]pyrrolidine-2-carboxamide
CID 49865010
(2S)-N-[(2-chloro-4-fluorophenyl)methyl]-1-ethyl-6-oxopiperidine-2-carboxamide
CID 49865055
(3S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-4-methyl-5-oxomorpholine-3-carboxamide
CID 52941885

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2-chloro-6-fluorophenyl)methyl]-3-methoxy-N-methylpropanamide?
The IUPAC name of 2-amino-N-[(2-chloro-6-fluorophenyl)methyl]-3-methoxy-N-methylpropanamide (CID 81082729) is 2-amino-N-[(2-chloro-6-fluorophenyl)methyl]-3-methoxy-N-methylpropanamide.
What is the SMILES notation for 2-amino-N-[(2-chloro-6-fluorophenyl)methyl]-3-methoxy-N-methylpropanamide?
The canonical SMILES for 2-amino-N-[(2-chloro-6-fluorophenyl)methyl]-3-methoxy-N-methylpropanamide is COCC(N)C(=O)N(C)Cc1c(F)cccc1Cl.
What is the InChIKey of 2-amino-N-[(2-chloro-6-fluorophenyl)methyl]-3-methoxy-N-methylpropanamide?
The InChIKey is GZVKHQQNOVDSHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFN2O2/c1-16(12(17)11(15)7-18-2)6-8-9(13)4-3-5-10(8)14/h3-5,11H,6-7,15H2,1-2H3.
What are the key properties of 2-amino-N-[(2-chloro-6-fluorophenyl)methyl]-3-methoxy-N-methylpropanamide?
2-amino-N-[(2-chloro-6-fluorophenyl)methyl]-3-methoxy-N-methylpropanamide has a molecular weight of 274.72 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2-chloro-6-fluorophenyl)methyl]-3-methoxy-N-methylpropanamide is sourced from PubChem (CID 81082729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).