N-[2-(3-chlorophenyl)-2-methoxyethyl]-2-cyano-2-methylpropanamide

C14H17ClN2O2 — CID 71993870

IUPACN-[2-(3-chlorophenyl)-2-methoxyethyl]-2-cyano-2-methylpropanamide
SMILESCOC(CNC(=O)C(C)(C)C#N)c1cccc(Cl)c1
InChIInChI=1S/C14H17ClN2O2/c1-14(2,9-16)13(18)17-8-12(19-3)10-5-4-6-11(15)7-10/h4-7,12H,8H2,1-3H3,(H,17,18)
InChIKeyMYXOPLUTNGTDON-UHFFFAOYSA-N
MW280.75 g/mol
LogP2.69
Rot. Bonds5

About N-[2-(3-chlorophenyl)-2-methoxyethyl]-2-cyano-2-methylpropanamide

N-[2-(3-chlorophenyl)-2-methoxyethyl]-2-cyano-2-methylpropanamide (PubChem CID 71993870) has the molecular formula C14H17ClN2O2 and a molecular weight of 280.75 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)-2-methoxyethyl]-2-cyano-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)-2-methoxyethyl]-2-cyano-2-methylpropanamide
PubChem CID71993870
Molecular FormulaC14H17ClN2O2
Molecular Weight280.75 g/mol
Exact Mass280.10
IUPAC NameN-[2-(3-chlorophenyl)-2-methoxyethyl]-2-cyano-2-methylpropanamide
SMILESCOC(CNC(=O)C(C)(C)C#N)c1cccc(Cl)c1
InChIInChI=1S/C14H17ClN2O2/c1-14(2,9-16)13(18)17-8-12(19-3)10-5-4-6-11(15)7-10/h4-7,12H,8H2,1-3H3,(H,17,18)
InChIKeyMYXOPLUTNGTDON-UHFFFAOYSA-N
XLogP2.69
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[2-(3-chlorophenyl)-2-methoxyethyl]acetamide;hydrochloride
CID 119337049
(2S)-N-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-2-methylsulfanylpropanamide
CID 96517717
1-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-3-[(1-hydroxycyclobutyl)methyl]urea
CID 96566001
N-[2-(3-chlorophenyl)-2-methoxyethyl]-4-(methylamino)butanamide
CID 119807214
3-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-1-cyclopropyl-1-methylurea
CID 95969088
1-[2-(3-chlorophenyl)-2-methoxyethyl]-3-(3-hydroxy-4-methylpentyl)urea
CID 111508956
N-[2-(3-chlorophenyl)-2-methoxyethyl]triazolidine-4-carboxamide
CID 134068515
N-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-5-methylpyrazine-2-carboxamide
CID 96568600
1-[2-(3-chlorophenyl)-2-methoxyethyl]-3-[[1-(methylamino)cyclobutyl]methyl]urea
CID 138047573
N-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-2-(tetrazol-1-yl)acetamide
CID 96568608
trans-(1R,2R)-N-[2-(3-chlorophenyl)-2-methoxyethyl]-2-phenylcyclopropane-1-carboxamide
CID 172583738
N-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-3-hydroxypyridine-4-carboxamide
CID 97320910

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)-2-methoxyethyl]-2-cyano-2-methylpropanamide?
The IUPAC name of N-[2-(3-chlorophenyl)-2-methoxyethyl]-2-cyano-2-methylpropanamide (CID 71993870) is N-[2-(3-chlorophenyl)-2-methoxyethyl]-2-cyano-2-methylpropanamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)-2-methoxyethyl]-2-cyano-2-methylpropanamide?
The canonical SMILES for N-[2-(3-chlorophenyl)-2-methoxyethyl]-2-cyano-2-methylpropanamide is COC(CNC(=O)C(C)(C)C#N)c1cccc(Cl)c1.
What is the InChIKey of N-[2-(3-chlorophenyl)-2-methoxyethyl]-2-cyano-2-methylpropanamide?
The InChIKey is MYXOPLUTNGTDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2/c1-14(2,9-16)13(18)17-8-12(19-3)10-5-4-6-11(15)7-10/h4-7,12H,8H2,1-3H3,(H,17,18).
What are the key properties of N-[2-(3-chlorophenyl)-2-methoxyethyl]-2-cyano-2-methylpropanamide?
N-[2-(3-chlorophenyl)-2-methoxyethyl]-2-cyano-2-methylpropanamide has a molecular weight of 280.75 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)-2-methoxyethyl]-2-cyano-2-methylpropanamide is sourced from PubChem (CID 71993870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).