2-chloro-N-[3-(2-chloroacetyl)-2-oxochromen-4-yl]-N-phenylacetamide

C19H13Cl2NO4 — CID 155979970

IUPAC2-chloro-N-[3-(2-chloroacetyl)-2-oxochromen-4-yl]-N-phenylacetamide
SMILESO=C(CCl)c1c(N(C(=O)CCl)c2ccccc2)c2ccccc2oc1=O
InChIInChI=1S/C19H13Cl2NO4/c20-10-14(23)17-18(13-8-4-5-9-15(13)26-19(17)25)22(16(24)11-21)12-6-2-1-3-7-12/h1-9H,10-11H2
InChIKeyQJMQVPOLPLYDHZ-UHFFFAOYSA-N
MW390.22 g/mol
LogP4.12
Rot. Bonds5

About 2-chloro-N-[3-(2-chloroacetyl)-2-oxochromen-4-yl]-N-phenylacetamide

2-chloro-N-[3-(2-chloroacetyl)-2-oxochromen-4-yl]-N-phenylacetamide (PubChem CID 155979970) has the molecular formula C19H13Cl2NO4 and a molecular weight of 390.22 g/mol. Its IUPAC name is 2-chloro-N-[3-(2-chloroacetyl)-2-oxochromen-4-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-chloro-N-[3-(2-chloroacetyl)-2-oxochromen-4-yl]-N-phenylacetamide
PubChem CID155979970
Molecular FormulaC19H13Cl2NO4
Molecular Weight390.22 g/mol
Exact Mass389.02
IUPAC Name2-chloro-N-[3-(2-chloroacetyl)-2-oxochromen-4-yl]-N-phenylacetamide
SMILESO=C(CCl)c1c(N(C(=O)CCl)c2ccccc2)c2ccccc2oc1=O
InChIInChI=1S/C19H13Cl2NO4/c20-10-14(23)17-18(13-8-4-5-9-15(13)26-19(17)25)22(16(24)11-21)12-6-2-1-3-7-12/h1-9H,10-11H2
InChIKeyQJMQVPOLPLYDHZ-UHFFFAOYSA-N
XLogP4.12
TPSA67.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.22
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-chloro-N-[3-(2-chloroacetyl)-2-oxochromen-4-yl]-N-phenylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N-((1,2,3,4,5,6-13C6)cyclohexatrienyl)-N-(2,6-dichlorophenyl)acetamide
CID 169436235
2-chloro-N-[4-(dimethylamino)phenyl]-N-phenylacetamide
CID 70059360
3-benzoyl-4-hydroxychromen-2-one
CID 135407308
2-oxo-4-(2-phenylethyl)chromene-3-carboxylic acid
CID 101228939
2-chloro-1-benzofuran-3-carboxylic acid
CID 83818774
3-acetyl-4-benzylchromen-2-one
CID 100994271
3-acetyl-4-phenylchromen-2-one
CID 56965161
3-benzoyl-4-phenylchromen-2-one
CID 629843
4-(diethylamino)-3-[3-[4-(diethylamino)phenyl]prop-2-enoyl]chromen-2-one
CID 54079008
2-chloro-N-(hydroxymethyl)-N-phenylacetamide
CID 19762880
4-(dimethylamino)-3-methylchromen-2-one
CID 87273287
4-hydroxy-3-(4-methylpent-4-enoyl)chromen-2-one
CID 153315843

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(2-chloroacetyl)-2-oxochromen-4-yl]-N-phenylacetamide?
The IUPAC name of 2-chloro-N-[3-(2-chloroacetyl)-2-oxochromen-4-yl]-N-phenylacetamide (CID 155979970) is 2-chloro-N-[3-(2-chloroacetyl)-2-oxochromen-4-yl]-N-phenylacetamide.
What is the SMILES notation for 2-chloro-N-[3-(2-chloroacetyl)-2-oxochromen-4-yl]-N-phenylacetamide?
The canonical SMILES for 2-chloro-N-[3-(2-chloroacetyl)-2-oxochromen-4-yl]-N-phenylacetamide is O=C(CCl)c1c(N(C(=O)CCl)c2ccccc2)c2ccccc2oc1=O.
What is the InChIKey of 2-chloro-N-[3-(2-chloroacetyl)-2-oxochromen-4-yl]-N-phenylacetamide?
The InChIKey is QJMQVPOLPLYDHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2NO4/c20-10-14(23)17-18(13-8-4-5-9-15(13)26-19(17)25)22(16(24)11-21)12-6-2-1-3-7-12/h1-9H,10-11H2.
What are the key properties of 2-chloro-N-[3-(2-chloroacetyl)-2-oxochromen-4-yl]-N-phenylacetamide?
2-chloro-N-[3-(2-chloroacetyl)-2-oxochromen-4-yl]-N-phenylacetamide has a molecular weight of 390.22 g/mol, XLogP of 4.12, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(2-chloroacetyl)-2-oxochromen-4-yl]-N-phenylacetamide is sourced from PubChem (CID 155979970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).