4-chloro-N-(3-methyl-4-oxo-2-phenylchromen-8-yl)butanamide

C20H18ClNO3 — CID 19972555

IUPAC4-chloro-N-(3-methyl-4-oxo-2-phenylchromen-8-yl)butanamide
SMILESCc1c(-c2ccccc2)oc2c(NC(=O)CCCCl)cccc2c1=O
InChIInChI=1S/C20H18ClNO3/c1-13-18(24)15-9-5-10-16(22-17(23)11-6-12-21)20(15)25-19(13)14-7-3-2-4-8-14/h2-5,7-10H,6,11-12H2,1H3,(H,22,23)
InChIKeyIKTNWWVLKHUQGL-UHFFFAOYSA-N
MW355.82 g/mol
LogP4.73
Rot. Bonds5

About 4-chloro-N-(3-methyl-4-oxo-2-phenylchromen-8-yl)butanamide

4-chloro-N-(3-methyl-4-oxo-2-phenylchromen-8-yl)butanamide (PubChem CID 19972555) has the molecular formula C20H18ClNO3 and a molecular weight of 355.82 g/mol. Its IUPAC name is 4-chloro-N-(3-methyl-4-oxo-2-phenylchromen-8-yl)butanamide.

Molecular Properties

Compound Name4-chloro-N-(3-methyl-4-oxo-2-phenylchromen-8-yl)butanamide
PubChem CID19972555
Molecular FormulaC20H18ClNO3
Molecular Weight355.82 g/mol
Exact Mass355.10
IUPAC Name4-chloro-N-(3-methyl-4-oxo-2-phenylchromen-8-yl)butanamide
SMILESCc1c(-c2ccccc2)oc2c(NC(=O)CCCCl)cccc2c1=O
InChIInChI=1S/C20H18ClNO3/c1-13-18(24)15-9-5-10-16(22-17(23)11-6-12-21)20(15)25-19(13)14-7-3-2-4-8-14/h2-5,7-10H,6,11-12H2,1H3,(H,22,23)
InChIKeyIKTNWWVLKHUQGL-UHFFFAOYSA-N
XLogP4.73
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.82
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-chloro-N-(3-methyl-4-oxo-2-phenylchromen-8-yl)butanamide 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

8-(chloromethyl)-3-methyl-2-phenylchromen-4-one
CID 19972408
[2-oxo-2-(2-propan-2-ylanilino)ethyl] 3-methyl-4-oxo-2-phenylchromene-8-carboxylate
CID 16505519
8-ethyl-3-methyl-2-phenylchromen-4-one
CID 59679615
8-amino-3-methyl-2-phenylchromen-4-one
CID 19972808
N-[2-(difluoromethoxy)phenyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
CID 26894946
N-(5-fluoro-2-methylphenyl)-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
CID 9097604
4-chloro-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)butanamide
CID 60651857
8-[(E)-4-hydroxybut-1-enyl]-3-methyl-2-phenylchromen-4-one
CID 19972682
N-(4-carbamoylphenyl)-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
CID 8884598
3-methyl-N-(3-methyl-2-pyridinyl)-4-oxo-2-phenylchromene-8-carboxamide
CID 42537286
N,3-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-oxo-2-phenylchromene-8-carboxamide
CID 26192057
2-methoxyethyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate
CID 46642244

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-methyl-4-oxo-2-phenylchromen-8-yl)butanamide?
The IUPAC name of 4-chloro-N-(3-methyl-4-oxo-2-phenylchromen-8-yl)butanamide (CID 19972555) is 4-chloro-N-(3-methyl-4-oxo-2-phenylchromen-8-yl)butanamide.
What is the SMILES notation for 4-chloro-N-(3-methyl-4-oxo-2-phenylchromen-8-yl)butanamide?
The canonical SMILES for 4-chloro-N-(3-methyl-4-oxo-2-phenylchromen-8-yl)butanamide is Cc1c(-c2ccccc2)oc2c(NC(=O)CCCCl)cccc2c1=O.
What is the InChIKey of 4-chloro-N-(3-methyl-4-oxo-2-phenylchromen-8-yl)butanamide?
The InChIKey is IKTNWWVLKHUQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClNO3/c1-13-18(24)15-9-5-10-16(22-17(23)11-6-12-21)20(15)25-19(13)14-7-3-2-4-8-14/h2-5,7-10H,6,11-12H2,1H3,(H,22,23).
What are the key properties of 4-chloro-N-(3-methyl-4-oxo-2-phenylchromen-8-yl)butanamide?
4-chloro-N-(3-methyl-4-oxo-2-phenylchromen-8-yl)butanamide has a molecular weight of 355.82 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-methyl-4-oxo-2-phenylchromen-8-yl)butanamide is sourced from PubChem (CID 19972555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).