N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-4-phenoxybutanamide

C19H20ClNO3 — CID 108764801

IUPACN-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-4-phenoxybutanamide
SMILESO=C(CCCOc1ccccc1)NC1CCOc2ccc(Cl)cc21
InChIInChI=1S/C19H20ClNO3/c20-14-8-9-18-16(13-14)17(10-12-24-18)21-19(22)7-4-11-23-15-5-2-1-3-6-15/h1-3,5-6,8-9,13,17H,4,7,10-12H2,(H,21,22)
InChIKeyAMNLLMZMZFGGDO-UHFFFAOYSA-N
MW345.83 g/mol
LogP4.14
Rot. Bonds6

About N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-4-phenoxybutanamide

N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-4-phenoxybutanamide (PubChem CID 108764801) has the molecular formula C19H20ClNO3 and a molecular weight of 345.83 g/mol. Its IUPAC name is N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-4-phenoxybutanamide.

Molecular Properties

Compound NameN-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-4-phenoxybutanamide
PubChem CID108764801
Molecular FormulaC19H20ClNO3
Molecular Weight345.83 g/mol
Exact Mass345.11
IUPAC NameN-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-4-phenoxybutanamide
SMILESO=C(CCCOc1ccccc1)NC1CCOc2ccc(Cl)cc21
InChIInChI=1S/C19H20ClNO3/c20-14-8-9-18-16(13-14)17(10-12-24-18)21-19(22)7-4-11-23-15-5-2-1-3-6-15/h1-3,5-6,8-9,13,17H,4,7,10-12H2,(H,21,22)
InChIKeyAMNLLMZMZFGGDO-UHFFFAOYSA-N
XLogP4.14
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-4-phenoxybutanamide 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

4-(4-methoxyphenoxy)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)butanamide
CID 108757532
N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-6-(1,3-dioxoisoindol-2-yl)hexanamide
CID 108764722
4-(2-chlorophenoxy)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)butanamide
CID 108757527
4-chloro-N-(3,4-dihydro-2H-chromen-4-yl)butanamide
CID 63309102
5-(3,4-dihydro-2H-chromen-4-ylamino)-5-oxopentanoic acid
CID 43580055
3-(2-chlorophenoxy)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)propanamide
CID 108811035
3-[3-[[(4S)-3,4-dihydro-2H-chromen-4-yl]amino]-3-oxopropoxy]benzamide
CID 95974632
N-[(4R)-6-chloro-3,4-dihydro-2H-chromen-4-yl]-2-dibenzofuran-2-ylacetamide
CID 68795382
N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-3-(2-methylpropoxy)benzamide
CID 108742175
4-chloro-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)benzamide
CID 108764686
2-(1-adamantyl)-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)acetamide
CID 108764701
3-amino-N-(3,4-dihydro-2H-chromen-4-yl)propanamide;hydrochloride
CID 119268905

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-4-phenoxybutanamide?
The IUPAC name of N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-4-phenoxybutanamide (CID 108764801) is N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-4-phenoxybutanamide.
What is the SMILES notation for N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-4-phenoxybutanamide?
The canonical SMILES for N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-4-phenoxybutanamide is O=C(CCCOc1ccccc1)NC1CCOc2ccc(Cl)cc21.
What is the InChIKey of N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-4-phenoxybutanamide?
The InChIKey is AMNLLMZMZFGGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO3/c20-14-8-9-18-16(13-14)17(10-12-24-18)21-19(22)7-4-11-23-15-5-2-1-3-6-15/h1-3,5-6,8-9,13,17H,4,7,10-12H2,(H,21,22).
What are the key properties of N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-4-phenoxybutanamide?
N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-4-phenoxybutanamide has a molecular weight of 345.83 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-4-phenoxybutanamide is sourced from PubChem (CID 108764801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).