3-(3-chlorophenyl)-2-cyano-N,N-dipropylpropanamide

C16H21ClN2O — CID 82139574

IUPAC3-(3-chlorophenyl)-2-cyano-N,N-dipropylpropanamide
SMILESCCCN(CCC)C(=O)C(C#N)Cc1cccc(Cl)c1
InChIInChI=1S/C16H21ClN2O/c1-3-8-19(9-4-2)16(20)14(12-18)10-13-6-5-7-15(17)11-13/h5-7,11,14H,3-4,8-10H2,1-2H3
InChIKeyHPYDGXCNCXTOSO-UHFFFAOYSA-N
MW292.81 g/mol
LogP3.67
Rot. Bonds7

About 3-(3-chlorophenyl)-2-cyano-N,N-dipropylpropanamide

3-(3-chlorophenyl)-2-cyano-N,N-dipropylpropanamide (PubChem CID 82139574) has the molecular formula C16H21ClN2O and a molecular weight of 292.81 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-2-cyano-N,N-dipropylpropanamide.

Molecular Properties

Compound Name3-(3-chlorophenyl)-2-cyano-N,N-dipropylpropanamide
PubChem CID82139574
Molecular FormulaC16H21ClN2O
Molecular Weight292.81 g/mol
Exact Mass292.13
IUPAC Name3-(3-chlorophenyl)-2-cyano-N,N-dipropylpropanamide
SMILESCCCN(CCC)C(=O)C(C#N)Cc1cccc(Cl)c1
InChIInChI=1S/C16H21ClN2O/c1-3-8-19(9-4-2)16(20)14(12-18)10-13-6-5-7-15(17)11-13/h5-7,11,14H,3-4,8-10H2,1-2H3
InChIKeyHPYDGXCNCXTOSO-UHFFFAOYSA-N
XLogP3.67
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 3-(3-chlorophenyl)-2-cyanopropanoate
CID 15946426
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3-chloro-N,N-dipropylbenzamide
CID 669182
3-(2-chloro-6-fluorophenyl)-2-cyano-N,N-diethylpropanamide
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N-benzyl-3-chloro-N-propylbenzamide
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N-[(3-chlorophenyl)methyl]-N-ethyl-2,2-difluoroacetamide
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(2S)-3-(3-chlorophenyl)-2-hydroxypropanoic acid
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CID 63224955

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-2-cyano-N,N-dipropylpropanamide?
The IUPAC name of 3-(3-chlorophenyl)-2-cyano-N,N-dipropylpropanamide (CID 82139574) is 3-(3-chlorophenyl)-2-cyano-N,N-dipropylpropanamide.
What is the SMILES notation for 3-(3-chlorophenyl)-2-cyano-N,N-dipropylpropanamide?
The canonical SMILES for 3-(3-chlorophenyl)-2-cyano-N,N-dipropylpropanamide is CCCN(CCC)C(=O)C(C#N)Cc1cccc(Cl)c1.
What is the InChIKey of 3-(3-chlorophenyl)-2-cyano-N,N-dipropylpropanamide?
The InChIKey is HPYDGXCNCXTOSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O/c1-3-8-19(9-4-2)16(20)14(12-18)10-13-6-5-7-15(17)11-13/h5-7,11,14H,3-4,8-10H2,1-2H3.
What are the key properties of 3-(3-chlorophenyl)-2-cyano-N,N-dipropylpropanamide?
3-(3-chlorophenyl)-2-cyano-N,N-dipropylpropanamide has a molecular weight of 292.81 g/mol, XLogP of 3.67, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-2-cyano-N,N-dipropylpropanamide is sourced from PubChem (CID 82139574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).