(2S)-2-[(3,5-dichlorophenyl)methyl-methylamino]propanamide

C11H14Cl2N2O — CID 94190668

IUPAC(2S)-2-[(3,5-dichlorophenyl)methyl-methylamino]propanamide
SMILESC[C@@H](C(N)=O)N(C)Cc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H14Cl2N2O/c1-7(11(14)16)15(2)6-8-3-9(12)5-10(13)4-8/h3-5,7H,6H2,1-2H3,(H2,14,16)/t7-/m0/s1
InChIKeyAIWATZVFYWICQH-ZETCQYMHSA-N
MW261.15 g/mol
LogP2.30
Rot. Bonds4

About (2S)-2-[(3,5-dichlorophenyl)methyl-methylamino]propanamide

(2S)-2-[(3,5-dichlorophenyl)methyl-methylamino]propanamide (PubChem CID 94190668) has the molecular formula C11H14Cl2N2O and a molecular weight of 261.15 g/mol. Its IUPAC name is (2S)-2-[(3,5-dichlorophenyl)methyl-methylamino]propanamide.

Molecular Properties

Compound Name(2S)-2-[(3,5-dichlorophenyl)methyl-methylamino]propanamide
PubChem CID94190668
Molecular FormulaC11H14Cl2N2O
Molecular Weight261.15 g/mol
Exact Mass260.05
IUPAC Name(2S)-2-[(3,5-dichlorophenyl)methyl-methylamino]propanamide
SMILESC[C@@H](C(N)=O)N(C)Cc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H14Cl2N2O/c1-7(11(14)16)15(2)6-8-3-9(12)5-10(13)4-8/h3-5,7H,6H2,1-2H3,(H2,14,16)/t7-/m0/s1
InChIKeyAIWATZVFYWICQH-ZETCQYMHSA-N
XLogP2.30
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.15
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[(4-methoxy-3,5-dimethylphenyl)methyl-methylamino]propanamide
CID 94817225
2-[(3-chloro-5-fluorophenyl)methyl-methylamino]propanoic acid
CID 114454928
(2S)-2-[(2-chlorophenyl)methyl-methylamino]propanamide
CID 8541703
2-[(3,5-dichlorophenyl)methyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 119041165
2-[(3-cyanophenyl)methyl-methylamino]propanamide
CID 47170731
2-[(3,5-dibromophenyl)methyl-methylamino]propanoic acid
CID 122036879
(2R)-2-[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]propanamide
CID 8857548
2-amino-N-[(3,5-dichlorophenyl)methyl]-N,3,3-trimethylbutanamide
CID 76894842
2-amino-N-[(3,5-dichlorophenyl)methyl]-N-methylpentanamide
CID 54872585
2-amino-N-[(3,5-dichlorophenyl)methyl]-N,2-dimethylpentanamide
CID 54872621
(2S)-2-[[5-(2,6-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]propanamide
CID 167868136
2-[(4-chlorophenyl)methyl-methylamino]-N-cyclopentylpropanamide
CID 17485820

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3,5-dichlorophenyl)methyl-methylamino]propanamide?
The IUPAC name of (2S)-2-[(3,5-dichlorophenyl)methyl-methylamino]propanamide (CID 94190668) is (2S)-2-[(3,5-dichlorophenyl)methyl-methylamino]propanamide.
What is the SMILES notation for (2S)-2-[(3,5-dichlorophenyl)methyl-methylamino]propanamide?
The canonical SMILES for (2S)-2-[(3,5-dichlorophenyl)methyl-methylamino]propanamide is C[C@@H](C(N)=O)N(C)Cc1cc(Cl)cc(Cl)c1.
What is the InChIKey of (2S)-2-[(3,5-dichlorophenyl)methyl-methylamino]propanamide?
The InChIKey is AIWATZVFYWICQH-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H14Cl2N2O/c1-7(11(14)16)15(2)6-8-3-9(12)5-10(13)4-8/h3-5,7H,6H2,1-2H3,(H2,14,16)/t7-/m0/s1.
What are the key properties of (2S)-2-[(3,5-dichlorophenyl)methyl-methylamino]propanamide?
(2S)-2-[(3,5-dichlorophenyl)methyl-methylamino]propanamide has a molecular weight of 261.15 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3,5-dichlorophenyl)methyl-methylamino]propanamide is sourced from PubChem (CID 94190668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).