N-[(2-chlorophenyl)methyl]-N,2-dimethylpropanamide;ethane

C14H22ClNO — CID 143072453

IUPACN-[(2-chlorophenyl)methyl]-N,2-dimethylpropanamide;ethane
SMILESCC.CC(C)C(=O)N(C)Cc1ccccc1Cl
InChIInChI=1S/C12H16ClNO.C2H6/c1-9(2)12(15)14(3)8-10-6-4-5-7-11(10)13;1-2/h4-7,9H,8H2,1-3H3;1-2H3
InChIKeyAWQJFHGBUQCIRN-UHFFFAOYSA-N
MW255.79 g/mol
LogP3.98
Rot. Bonds3

About N-[(2-chlorophenyl)methyl]-N,2-dimethylpropanamide;ethane

N-[(2-chlorophenyl)methyl]-N,2-dimethylpropanamide;ethane (PubChem CID 143072453) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-N,2-dimethylpropanamide;ethane.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-N,2-dimethylpropanamide;ethane
PubChem CID143072453
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC NameN-[(2-chlorophenyl)methyl]-N,2-dimethylpropanamide;ethane
SMILESCC.CC(C)C(=O)N(C)Cc1ccccc1Cl
InChIInChI=1S/C12H16ClNO.C2H6/c1-9(2)12(15)14(3)8-10-6-4-5-7-11(10)13;1-2/h4-7,9H,8H2,1-3H3;1-2H3
InChIKeyAWQJFHGBUQCIRN-UHFFFAOYSA-N
XLogP3.98
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-chlorophenyl)methyl]-2-ethyl-N-methylbutanamide
CID 78768741
1-[(2-chlorophenyl)methyl]-1-methylurea
CID 60703173
(2S)-2-amino-N-[(2-chlorophenyl)methyl]-N,3,3-trimethylbutanamide;hydrochloride
CID 119682671
2-chloro-N-[(2S)-1-[(2-chlorophenyl)methyl-methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 31146281
N-[(2-chlorophenyl)methyl]-2-(N'-hydroxycarbamimidoyl)-N,3-dimethylbutanamide
CID 76925096
2-(3-aminophenyl)-N-[(2-chlorophenyl)methyl]-N-methylpropanamide
CID 106591019
N-[(2-chlorophenyl)methyl]-N-methyl-2-(propan-2-ylamino)acetamide
CID 60683172
2-amino-N-[(2-chlorophenyl)methyl]-N-methylhexanamide
CID 54869039
(2S)-1-[(2-chlorophenyl)methyl-[(2S)-2-hydroxypropyl]amino]propan-2-ol
CID 756928
(2R)-1-[(2-chlorophenyl)methyl-[(2R)-2-hydroxypropyl]amino]propan-2-ol
CID 756925
N-[(2-chlorophenyl)methyl]-N-methylpiperidine-1-carboxamide
CID 115578615
(2S)-2-[(2-chlorophenyl)methyl-methylamino]propanamide
CID 8541703

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-N,2-dimethylpropanamide;ethane?
The IUPAC name of N-[(2-chlorophenyl)methyl]-N,2-dimethylpropanamide;ethane (CID 143072453) is N-[(2-chlorophenyl)methyl]-N,2-dimethylpropanamide;ethane.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-N,2-dimethylpropanamide;ethane?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-N,2-dimethylpropanamide;ethane is CC.CC(C)C(=O)N(C)Cc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-N,2-dimethylpropanamide;ethane?
The InChIKey is AWQJFHGBUQCIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO.C2H6/c1-9(2)12(15)14(3)8-10-6-4-5-7-11(10)13;1-2/h4-7,9H,8H2,1-3H3;1-2H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-N,2-dimethylpropanamide;ethane?
N-[(2-chlorophenyl)methyl]-N,2-dimethylpropanamide;ethane has a molecular weight of 255.79 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-N,2-dimethylpropanamide;ethane is sourced from PubChem (CID 143072453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).