N-[(4-chloro-3-cyanophenyl)methyl]-2-methoxy-2-methylpropanamide

C13H15ClN2O2 — CID 129091542

IUPACN-[(4-chloro-3-cyanophenyl)methyl]-2-methoxy-2-methylpropanamide
SMILESCOC(C)(C)C(=O)NCc1ccc(Cl)c(C#N)c1
InChIInChI=1S/C13H15ClN2O2/c1-13(2,18-3)12(17)16-8-9-4-5-11(14)10(6-9)7-15/h4-6H,8H2,1-3H3,(H,16,17)
InChIKeyVUFSOLWEPAULDW-UHFFFAOYSA-N
MW266.73 g/mol
LogP2.25
Rot. Bonds4

About N-[(4-chloro-3-cyanophenyl)methyl]-2-methoxy-2-methylpropanamide

N-[(4-chloro-3-cyanophenyl)methyl]-2-methoxy-2-methylpropanamide (PubChem CID 129091542) has the molecular formula C13H15ClN2O2 and a molecular weight of 266.73 g/mol. Its IUPAC name is N-[(4-chloro-3-cyanophenyl)methyl]-2-methoxy-2-methylpropanamide.

Molecular Properties

Compound NameN-[(4-chloro-3-cyanophenyl)methyl]-2-methoxy-2-methylpropanamide
PubChem CID129091542
Molecular FormulaC13H15ClN2O2
Molecular Weight266.73 g/mol
Exact Mass266.08
IUPAC NameN-[(4-chloro-3-cyanophenyl)methyl]-2-methoxy-2-methylpropanamide
SMILESCOC(C)(C)C(=O)NCc1ccc(Cl)c(C#N)c1
InChIInChI=1S/C13H15ClN2O2/c1-13(2,18-3)12(17)16-8-9-4-5-11(14)10(6-9)7-15/h4-6H,8H2,1-3H3,(H,16,17)
InChIKeyVUFSOLWEPAULDW-UHFFFAOYSA-N
XLogP2.25
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chloro-3-cyanophenyl)methyl]butanamide
CID 129091681
N-[4-[(4-chloro-3-cyanoanilino)methyl]phenyl]acetamide
CID 43686842
2-(4-chlorophenoxy)-N-[(4-cyanophenyl)methyl]-2-methylpropanamide
CID 134035338
5-[(2,6-dichloro-4-fluoroanilino)methyl]-2-methoxybenzonitrile
CID 83078187
N-[(4-chloro-3-nitrophenyl)methyl]-2,2-dimethylpropanamide
CID 66765017
2-chloro-5-[(2,2-dimethylpropanoylamino)methyl]-N,N-bis(prop-2-ynyl)benzamide
CID 100757713
5-[[(2-methoxy-2-methylpropanoyl)amino]methyl]furan-2-carboxylic acid
CID 103925702
2-chloro-5-[3-(4-fluorophenyl)-2-oxopropyl]benzonitrile
CID 165098058
2-(4-chlorophenoxy)-N-[(4-chlorophenyl)methyl]-2-methylpropanamide
CID 2597715
2-[(4-cyano-3-methoxyphenyl)methylamino]-2-methylpropanoic acid
CID 106792554
2-chloro-5-[(3-chloro-4-methylphenyl)methylamino]benzonitrile
CID 106816335
methyl 2-[(4-chloro-3-cyanoanilino)methyl]benzoate
CID 43781729

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-3-cyanophenyl)methyl]-2-methoxy-2-methylpropanamide?
The IUPAC name of N-[(4-chloro-3-cyanophenyl)methyl]-2-methoxy-2-methylpropanamide (CID 129091542) is N-[(4-chloro-3-cyanophenyl)methyl]-2-methoxy-2-methylpropanamide.
What is the SMILES notation for N-[(4-chloro-3-cyanophenyl)methyl]-2-methoxy-2-methylpropanamide?
The canonical SMILES for N-[(4-chloro-3-cyanophenyl)methyl]-2-methoxy-2-methylpropanamide is COC(C)(C)C(=O)NCc1ccc(Cl)c(C#N)c1.
What is the InChIKey of N-[(4-chloro-3-cyanophenyl)methyl]-2-methoxy-2-methylpropanamide?
The InChIKey is VUFSOLWEPAULDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2/c1-13(2,18-3)12(17)16-8-9-4-5-11(14)10(6-9)7-15/h4-6H,8H2,1-3H3,(H,16,17).
What are the key properties of N-[(4-chloro-3-cyanophenyl)methyl]-2-methoxy-2-methylpropanamide?
N-[(4-chloro-3-cyanophenyl)methyl]-2-methoxy-2-methylpropanamide has a molecular weight of 266.73 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-3-cyanophenyl)methyl]-2-methoxy-2-methylpropanamide is sourced from PubChem (CID 129091542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).