N-(3-chloro-4-cyanophenyl)-2-(2-oxochromen-7-yl)oxyacetamide

C18H11ClN2O4 — CID 7564291

IUPACN-(3-chloro-4-cyanophenyl)-2-(2-oxochromen-7-yl)oxyacetamide
SMILESN#Cc1ccc(NC(=O)COc2ccc3ccc(=O)oc3c2)cc1Cl
InChIInChI=1S/C18H11ClN2O4/c19-15-7-13(4-1-12(15)9-20)21-17(22)10-24-14-5-2-11-3-6-18(23)25-16(11)8-14/h1-8H,10H2,(H,21,22)
InChIKeyKBRGQSYRUJTBSC-UHFFFAOYSA-N
MW354.75 g/mol
LogP3.34
Rot. Bonds4

About N-(3-chloro-4-cyanophenyl)-2-(2-oxochromen-7-yl)oxyacetamide

N-(3-chloro-4-cyanophenyl)-2-(2-oxochromen-7-yl)oxyacetamide (PubChem CID 7564291) has the molecular formula C18H11ClN2O4 and a molecular weight of 354.75 g/mol. Its IUPAC name is N-(3-chloro-4-cyanophenyl)-2-(2-oxochromen-7-yl)oxyacetamide.

Molecular Properties

Compound NameN-(3-chloro-4-cyanophenyl)-2-(2-oxochromen-7-yl)oxyacetamide
PubChem CID7564291
Molecular FormulaC18H11ClN2O4
Molecular Weight354.75 g/mol
Exact Mass354.04
IUPAC NameN-(3-chloro-4-cyanophenyl)-2-(2-oxochromen-7-yl)oxyacetamide
SMILESN#Cc1ccc(NC(=O)COc2ccc3ccc(=O)oc3c2)cc1Cl
InChIInChI=1S/C18H11ClN2O4/c19-15-7-13(4-1-12(15)9-20)21-17(22)10-24-14-5-2-11-3-6-18(23)25-16(11)8-14/h1-8H,10H2,(H,21,22)
InChIKeyKBRGQSYRUJTBSC-UHFFFAOYSA-N
XLogP3.34
TPSA92.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.75
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

N-(3-chloro-4-cyanophenyl)-2-(3,4-dimethylphenoxy)acetamide
CID 2103781
N-(3-chloro-4-cyanophenyl)-2-(7-methoxynaphthalen-2-yl)oxyacetamide
CID 7652495
2-(2-oxochromen-7-yl)oxy-N-(2,4,5-trichlorophenyl)acetamide
CID 7233726
2-(2-oxochromen-7-yl)oxy-N-(2,4,6-trichlorophenyl)acetamide
CID 7233718
N-(2-chloro-5-nitrophenyl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 2705146
N-[4-(difluoromethoxy)phenyl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 2705048
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 55340959
N-dibenzofuran-2-yl-2-(2-oxochromen-7-yl)oxyacetamide
CID 8536224
N,N-diethyl-4-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]benzamide
CID 7565046
2-(3-chloro-4-cyanophenoxy)-N-(3-chlorophenyl)acetamide
CID 102674501
N-(2,3-dichlorophenyl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 2705129
[2-(3-chloro-4-cyanoanilino)-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate
CID 8922452

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-cyanophenyl)-2-(2-oxochromen-7-yl)oxyacetamide?
The IUPAC name of N-(3-chloro-4-cyanophenyl)-2-(2-oxochromen-7-yl)oxyacetamide (CID 7564291) is N-(3-chloro-4-cyanophenyl)-2-(2-oxochromen-7-yl)oxyacetamide.
What is the SMILES notation for N-(3-chloro-4-cyanophenyl)-2-(2-oxochromen-7-yl)oxyacetamide?
The canonical SMILES for N-(3-chloro-4-cyanophenyl)-2-(2-oxochromen-7-yl)oxyacetamide is N#Cc1ccc(NC(=O)COc2ccc3ccc(=O)oc3c2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-cyanophenyl)-2-(2-oxochromen-7-yl)oxyacetamide?
The InChIKey is KBRGQSYRUJTBSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClN2O4/c19-15-7-13(4-1-12(15)9-20)21-17(22)10-24-14-5-2-11-3-6-18(23)25-16(11)8-14/h1-8H,10H2,(H,21,22).
What are the key properties of N-(3-chloro-4-cyanophenyl)-2-(2-oxochromen-7-yl)oxyacetamide?
N-(3-chloro-4-cyanophenyl)-2-(2-oxochromen-7-yl)oxyacetamide has a molecular weight of 354.75 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-cyanophenyl)-2-(2-oxochromen-7-yl)oxyacetamide is sourced from PubChem (CID 7564291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).