N-[3-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]phenyl]-2-cyanoacetamide

C19H18ClN3O3 — CID 108922706

IUPACN-[3-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]phenyl]-2-cyanoacetamide
SMILESCc1cc(OCC(=O)Nc2cccc(NC(=O)CC#N)c2)cc(C)c1Cl
InChIInChI=1S/C19H18ClN3O3/c1-12-8-16(9-13(2)19(12)20)26-11-18(25)23-15-5-3-4-14(10-15)22-17(24)6-7-21/h3-5,8-10H,6,11H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyVKURQOHSDZFRLL-UHFFFAOYSA-N
MW371.82 g/mol
LogP3.83
Rot. Bonds6

About N-[3-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]phenyl]-2-cyanoacetamide

N-[3-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]phenyl]-2-cyanoacetamide (PubChem CID 108922706) has the molecular formula C19H18ClN3O3 and a molecular weight of 371.82 g/mol. Its IUPAC name is N-[3-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]phenyl]-2-cyanoacetamide.

Molecular Properties

Compound NameN-[3-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]phenyl]-2-cyanoacetamide
PubChem CID108922706
Molecular FormulaC19H18ClN3O3
Molecular Weight371.82 g/mol
Exact Mass371.10
IUPAC NameN-[3-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]phenyl]-2-cyanoacetamide
SMILESCc1cc(OCC(=O)Nc2cccc(NC(=O)CC#N)c2)cc(C)c1Cl
InChIInChI=1S/C19H18ClN3O3/c1-12-8-16(9-13(2)19(12)20)26-11-18(25)23-15-5-3-4-14(10-15)22-17(24)6-7-21/h3-5,8-10H,6,11H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyVKURQOHSDZFRLL-UHFFFAOYSA-N
XLogP3.83
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.82
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-3,5-dimethylphenoxy)-N-phenylacetamide
CID 918181
N-[3-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]phenyl]pyridine-3-carboxamide
CID 108925180
N-(4-chloro-3,5-dimethylphenyl)-2-cyanoacetamide
CID 168523333
2-(4-chloro-3,5-dimethylphenoxy)-N-[3-(piperidine-1-carbonyl)phenyl]acetamide
CID 26168331
3-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-N-methyl-N-phenylbenzamide
CID 17227717
3-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-N-(3-methoxypropyl)benzamide
CID 26160030
2-(4-chloro-3,5-dimethylphenoxy)-N-(2,6-difluorophenyl)acetamide
CID 112979011
N-(3-acetamido-4-methylphenyl)-2-(4-chloro-3,5-dimethylphenoxy)acetamide
CID 54777100
2-cyano-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide
CID 168520883
2-cyano-N-[3-[[2-(2-methoxyethoxy)acetyl]amino]phenyl]acetamide
CID 108922770
2-(4-chloro-3,5-dimethylphenoxy)-N-[4-(2-phenoxyethoxy)phenyl]acetamide
CID 4958111
2-cyano-N-(3-hydroxyphenyl)acetamide
CID 22099165

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]phenyl]-2-cyanoacetamide?
The IUPAC name of N-[3-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]phenyl]-2-cyanoacetamide (CID 108922706) is N-[3-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]phenyl]-2-cyanoacetamide.
What is the SMILES notation for N-[3-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]phenyl]-2-cyanoacetamide?
The canonical SMILES for N-[3-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]phenyl]-2-cyanoacetamide is Cc1cc(OCC(=O)Nc2cccc(NC(=O)CC#N)c2)cc(C)c1Cl.
What is the InChIKey of N-[3-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]phenyl]-2-cyanoacetamide?
The InChIKey is VKURQOHSDZFRLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O3/c1-12-8-16(9-13(2)19(12)20)26-11-18(25)23-15-5-3-4-14(10-15)22-17(24)6-7-21/h3-5,8-10H,6,11H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N-[3-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]phenyl]-2-cyanoacetamide?
N-[3-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]phenyl]-2-cyanoacetamide has a molecular weight of 371.82 g/mol, XLogP of 3.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]phenyl]-2-cyanoacetamide is sourced from PubChem (CID 108922706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).