2-(3-chlorophenyl)-N-(1-cyanopropan-2-yl)-N-methylacetamide

C13H15ClN2O — CID 63224955

IUPAC2-(3-chlorophenyl)-N-(1-cyanopropan-2-yl)-N-methylacetamide
SMILESCC(CC#N)N(C)C(=O)Cc1cccc(Cl)c1
InChIInChI=1S/C13H15ClN2O/c1-10(6-7-15)16(2)13(17)9-11-4-3-5-12(14)8-11/h3-5,8,10H,6,9H2,1-2H3
InChIKeyPANKDSPALHCVHA-UHFFFAOYSA-N
MW250.73 g/mol
LogP2.64
Rot. Bonds4

About 2-(3-chlorophenyl)-N-(1-cyanopropan-2-yl)-N-methylacetamide

2-(3-chlorophenyl)-N-(1-cyanopropan-2-yl)-N-methylacetamide (PubChem CID 63224955) has the molecular formula C13H15ClN2O and a molecular weight of 250.73 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-(1-cyanopropan-2-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-(1-cyanopropan-2-yl)-N-methylacetamide
PubChem CID63224955
Molecular FormulaC13H15ClN2O
Molecular Weight250.73 g/mol
Exact Mass250.09
IUPAC Name2-(3-chlorophenyl)-N-(1-cyanopropan-2-yl)-N-methylacetamide
SMILESCC(CC#N)N(C)C(=O)Cc1cccc(Cl)c1
InChIInChI=1S/C13H15ClN2O/c1-10(6-7-15)16(2)13(17)9-11-4-3-5-12(14)8-11/h3-5,8,10H,6,9H2,1-2H3
InChIKeyPANKDSPALHCVHA-UHFFFAOYSA-N
XLogP2.64
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-aminophenyl)-N-(1-cyanopropan-2-yl)-N-methylacetamide
CID 63221975
2-[3-[[1-cyanopropan-2-yl(methyl)carbamoyl]amino]phenyl]acetic acid
CID 65349900
N-(1-cyanopropan-2-yl)-N-methyl-2-(2-methylphenyl)acetamide
CID 63224539
2-(2-aminophenyl)-N-(1-cyanopropan-2-yl)-N-methylacetamide
CID 63222105
ethyl 2-[[2-(3-chlorophenyl)acetyl]-methylamino]acetate
CID 60615788
2-(3-chlorophenyl)-N-[(2S)-1-cyanopropan-2-yl]-N-methyl-1,3-thiazole-4-carboxamide
CID 95145000
1-(1-cyanopropan-2-yl)-3-(2,5-dichlorophenyl)-1-methylurea
CID 63224591
3-[(3-chlorophenyl)methyl-methylamino]pentanenitrile
CID 61413201
2-(3-chlorophenyl)-N-ethyl-N-(1-phenylethyl)acetamide
CID 13268024
N-(4-aminobutan-2-yl)-2-(3-hydroxyphenyl)-N-methylacetamide
CID 55173941
6-chloro-N-(1-cyanopropan-2-yl)-N-methylpyridine-2-carboxamide
CID 63224800
2-(3-chlorophenyl)-N-(2-cyanoethyl)-N-phenylacetamide
CID 62504093

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-(1-cyanopropan-2-yl)-N-methylacetamide?
The IUPAC name of 2-(3-chlorophenyl)-N-(1-cyanopropan-2-yl)-N-methylacetamide (CID 63224955) is 2-(3-chlorophenyl)-N-(1-cyanopropan-2-yl)-N-methylacetamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-(1-cyanopropan-2-yl)-N-methylacetamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-(1-cyanopropan-2-yl)-N-methylacetamide is CC(CC#N)N(C)C(=O)Cc1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-N-(1-cyanopropan-2-yl)-N-methylacetamide?
The InChIKey is PANKDSPALHCVHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O/c1-10(6-7-15)16(2)13(17)9-11-4-3-5-12(14)8-11/h3-5,8,10H,6,9H2,1-2H3.
What are the key properties of 2-(3-chlorophenyl)-N-(1-cyanopropan-2-yl)-N-methylacetamide?
2-(3-chlorophenyl)-N-(1-cyanopropan-2-yl)-N-methylacetamide has a molecular weight of 250.73 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-(1-cyanopropan-2-yl)-N-methylacetamide is sourced from PubChem (CID 63224955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).