N,N-bis(2-cyanoethyl)-2-(2,4-dichlorophenoxy)acetamide

C14H13Cl2N3O2 — CID 2208998

IUPACN,N-bis(2-cyanoethyl)-2-(2,4-dichlorophenoxy)acetamide
SMILESN#CCCN(CCC#N)C(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H13Cl2N3O2/c15-11-3-4-13(12(16)9-11)21-10-14(20)19(7-1-5-17)8-2-6-18/h3-4,9H,1-2,7-8,10H2
InChIKeyCUTVKDDDUJIWHK-UHFFFAOYSA-N
MW326.18 g/mol
LogP3.03
Rot. Bonds7

About N,N-bis(2-cyanoethyl)-2-(2,4-dichlorophenoxy)acetamide

N,N-bis(2-cyanoethyl)-2-(2,4-dichlorophenoxy)acetamide (PubChem CID 2208998) has the molecular formula C14H13Cl2N3O2 and a molecular weight of 326.18 g/mol. Its IUPAC name is N,N-bis(2-cyanoethyl)-2-(2,4-dichlorophenoxy)acetamide.

Molecular Properties

Compound NameN,N-bis(2-cyanoethyl)-2-(2,4-dichlorophenoxy)acetamide
PubChem CID2208998
Molecular FormulaC14H13Cl2N3O2
Molecular Weight326.18 g/mol
Exact Mass325.04
IUPAC NameN,N-bis(2-cyanoethyl)-2-(2,4-dichlorophenoxy)acetamide
SMILESN#CCCN(CCC#N)C(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H13Cl2N3O2/c15-11-3-4-13(12(16)9-11)21-10-14(20)19(7-1-5-17)8-2-6-18/h3-4,9H,1-2,7-8,10H2
InChIKeyCUTVKDDDUJIWHK-UHFFFAOYSA-N
XLogP3.03
TPSA77.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.18
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

139520-94-8
CID 1475957
(2S)-N-(2-cyano-3-methylbutan-2-yl)-2-(2,4-dichlorophenoxy)propanamide
CID 69117064
2-(2-chlorophenoxy)-N-methyl-N-(1-methylpiperidin-4-yl)acetamide
CID 2422308
Acetamide, 2-(2,4-dichlorophenoxy)-N-(2-(diethylamino)ethyl)-
CID 206267
2-(2,4-Dichlorophenoxy)acetamide
CID 74798
2-(2,4-dichlorophenoxy)-N-[2-(dimethylamino)ethyl]acetamide
CID 1571645
2-chloro-N-[2-(2,4-dichlorophenoxy)ethyl]acetamide
CID 3614497
2-(2-Chlorophenoxy)-1-(4-methyl-1,4-diazepan-1-yl)propan-1-one
CID 6467230
2-(2-Chloro-4-fluorophenoxy)-1-(4-methyl-1,4-diazepan-1-yl)ethanone
CID 6468965
1-((2-Chlorophenoxy)acetyl)piperazine
CID 3481726
4-[2-(2-Chlorophenoxy)propanoyl]morpholine
CID 3620543
2-(2,4-dichlorophenoxy)-N-propan-2-ylacetamide
CID 684074

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-cyanoethyl)-2-(2,4-dichlorophenoxy)acetamide?
The IUPAC name of N,N-bis(2-cyanoethyl)-2-(2,4-dichlorophenoxy)acetamide (CID 2208998) is N,N-bis(2-cyanoethyl)-2-(2,4-dichlorophenoxy)acetamide.
What is the SMILES notation for N,N-bis(2-cyanoethyl)-2-(2,4-dichlorophenoxy)acetamide?
The canonical SMILES for N,N-bis(2-cyanoethyl)-2-(2,4-dichlorophenoxy)acetamide is N#CCCN(CCC#N)C(=O)COc1ccc(Cl)cc1Cl.
What is the InChIKey of N,N-bis(2-cyanoethyl)-2-(2,4-dichlorophenoxy)acetamide?
The InChIKey is CUTVKDDDUJIWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N3O2/c15-11-3-4-13(12(16)9-11)21-10-14(20)19(7-1-5-17)8-2-6-18/h3-4,9H,1-2,7-8,10H2.
What are the key properties of N,N-bis(2-cyanoethyl)-2-(2,4-dichlorophenoxy)acetamide?
N,N-bis(2-cyanoethyl)-2-(2,4-dichlorophenoxy)acetamide has a molecular weight of 326.18 g/mol, XLogP of 3.03, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-cyanoethyl)-2-(2,4-dichlorophenoxy)acetamide is sourced from PubChem (CID 2208998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).