N-(5-chloro-2-cyanophenyl)-2-[4-(3-oxobutyl)phenoxy]acetamide

C19H17ClN2O3 — CID 7643107

IUPACN-(5-chloro-2-cyanophenyl)-2-[4-(3-oxobutyl)phenoxy]acetamide
SMILESCC(=O)CCc1ccc(OCC(=O)Nc2cc(Cl)ccc2C#N)cc1
InChIInChI=1S/C19H17ClN2O3/c1-13(23)2-3-14-4-8-17(9-5-14)25-12-19(24)22-18-10-16(20)7-6-15(18)11-21/h4-10H,2-3,12H2,1H3,(H,22,24)
InChIKeyCQSPEYYRQOFLBZ-UHFFFAOYSA-N
MW356.81 g/mol
LogP3.75
Rot. Bonds7

About N-(5-chloro-2-cyanophenyl)-2-[4-(3-oxobutyl)phenoxy]acetamide

N-(5-chloro-2-cyanophenyl)-2-[4-(3-oxobutyl)phenoxy]acetamide (PubChem CID 7643107) has the molecular formula C19H17ClN2O3 and a molecular weight of 356.81 g/mol. Its IUPAC name is N-(5-chloro-2-cyanophenyl)-2-[4-(3-oxobutyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-cyanophenyl)-2-[4-(3-oxobutyl)phenoxy]acetamide
PubChem CID7643107
Molecular FormulaC19H17ClN2O3
Molecular Weight356.81 g/mol
Exact Mass356.09
IUPAC NameN-(5-chloro-2-cyanophenyl)-2-[4-(3-oxobutyl)phenoxy]acetamide
SMILESCC(=O)CCc1ccc(OCC(=O)Nc2cc(Cl)ccc2C#N)cc1
InChIInChI=1S/C19H17ClN2O3/c1-13(23)2-3-14-4-8-17(9-5-14)25-12-19(24)22-18-10-16(20)7-6-15(18)11-21/h4-10H,2-3,12H2,1H3,(H,22,24)
InChIKeyCQSPEYYRQOFLBZ-UHFFFAOYSA-N
XLogP3.75
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chlorophenyl)-2-[4-(3-oxobutyl)phenoxy]acetamide
CID 7643095
[2-(5-chloro-2-cyanoanilino)-2-oxoethyl] 3-phenylpropanoate
CID 4801753
N-(2-chloro-4-methylphenyl)-2-[4-(3-oxobutyl)phenoxy]acetamide
CID 7643135
2-(1,3-benzodioxol-5-yloxy)-N-(5-chloro-2-cyanophenyl)acetamide
CID 7894399
N-(5-chloro-2-methoxyphenyl)-2-(4-cyanophenoxy)acetamide
CID 7503472
N-(2,5-dimethoxyphenyl)-2-[4-(3-oxobutyl)phenoxy]acetamide
CID 7643093
N-(2-amino-5-chlorophenyl)-2-(4-cyanophenoxy)acetamide
CID 29050645
N-(5-chloro-2-methylphenyl)-2-[4-(2-methoxyethyl)phenoxy]acetamide
CID 8833683
[2-(5-chloro-2-cyanoanilino)-2-oxoethyl] 2-ethoxyacetate
CID 2564022
N-ethyl-2-[4-(3-oxobutyl)phenoxy]acetamide
CID 24701129
N-(5-chloro-2-cyanophenyl)hexanamide
CID 60628682
N-(5-chloro-2-cyanophenyl)-2-(4-sulfanylphenyl)acetamide
CID 107031090

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-cyanophenyl)-2-[4-(3-oxobutyl)phenoxy]acetamide?
The IUPAC name of N-(5-chloro-2-cyanophenyl)-2-[4-(3-oxobutyl)phenoxy]acetamide (CID 7643107) is N-(5-chloro-2-cyanophenyl)-2-[4-(3-oxobutyl)phenoxy]acetamide.
What is the SMILES notation for N-(5-chloro-2-cyanophenyl)-2-[4-(3-oxobutyl)phenoxy]acetamide?
The canonical SMILES for N-(5-chloro-2-cyanophenyl)-2-[4-(3-oxobutyl)phenoxy]acetamide is CC(=O)CCc1ccc(OCC(=O)Nc2cc(Cl)ccc2C#N)cc1.
What is the InChIKey of N-(5-chloro-2-cyanophenyl)-2-[4-(3-oxobutyl)phenoxy]acetamide?
The InChIKey is CQSPEYYRQOFLBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O3/c1-13(23)2-3-14-4-8-17(9-5-14)25-12-19(24)22-18-10-16(20)7-6-15(18)11-21/h4-10H,2-3,12H2,1H3,(H,22,24).
What are the key properties of N-(5-chloro-2-cyanophenyl)-2-[4-(3-oxobutyl)phenoxy]acetamide?
N-(5-chloro-2-cyanophenyl)-2-[4-(3-oxobutyl)phenoxy]acetamide has a molecular weight of 356.81 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-cyanophenyl)-2-[4-(3-oxobutyl)phenoxy]acetamide is sourced from PubChem (CID 7643107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).