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

C12H13Cl2NO2 — CID 108742262

IUPAC2-chloro-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)propanamide
SMILESCC(Cl)C(=O)NC1CCOc2ccc(Cl)cc21
InChIInChI=1S/C12H13Cl2NO2/c1-7(13)12(16)15-10-4-5-17-11-3-2-8(14)6-9(10)11/h2-3,6-7,10H,4-5H2,1H3,(H,15,16)
InChIKeyLMDXZGDLVOMTIW-UHFFFAOYSA-N
MW274.15 g/mol
LogP2.91
Rot. Bonds2

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

2-chloro-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)propanamide (PubChem CID 108742262) has the molecular formula C12H13Cl2NO2 and a molecular weight of 274.15 g/mol. Its IUPAC name is 2-chloro-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)propanamide.

Molecular Properties

Compound Name2-chloro-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)propanamide
PubChem CID108742262
Molecular FormulaC12H13Cl2NO2
Molecular Weight274.15 g/mol
Exact Mass273.03
IUPAC Name2-chloro-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)propanamide
SMILESCC(Cl)C(=O)NC1CCOc2ccc(Cl)cc21
InChIInChI=1S/C12H13Cl2NO2/c1-7(13)12(16)15-10-4-5-17-11-3-2-8(14)6-9(10)11/h2-3,6-7,10H,4-5H2,1H3,(H,15,16)
InChIKeyLMDXZGDLVOMTIW-UHFFFAOYSA-N
XLogP2.91
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.15
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)propanamide
CID 108734122
2-(4-bromophenoxy)-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)propanamide
CID 108742340
4-chloro-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)benzamide
CID 108764686
3-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-1,1-diethylurea
CID 108742260
3,4-dichloro-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)benzamide
CID 108764672
N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-2,3,4-trifluorobenzamide
CID 108742241
(6-chloro-3,4-dihydro-2H-chromen-4-yl)hydrazine
CID 53403029
tert-butyl N-[1-[(6-chloro-3,4-dihydro-2H-chromen-4-yl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]carbamate
CID 108764660
(2R)-2-amino-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)propanamide;hydrochloride
CID 119322941
N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-3-(2-methylpropoxy)benzamide
CID 108742175
(E)-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-3-(2,4-dichlorophenyl)prop-2-enamide
CID 108764745
2-(1-adamantyl)-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)acetamide
CID 108764701

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)propanamide?
The IUPAC name of 2-chloro-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)propanamide (CID 108742262) is 2-chloro-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)propanamide.
What is the SMILES notation for 2-chloro-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)propanamide?
The canonical SMILES for 2-chloro-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)propanamide is CC(Cl)C(=O)NC1CCOc2ccc(Cl)cc21.
What is the InChIKey of 2-chloro-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)propanamide?
The InChIKey is LMDXZGDLVOMTIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2NO2/c1-7(13)12(16)15-10-4-5-17-11-3-2-8(14)6-9(10)11/h2-3,6-7,10H,4-5H2,1H3,(H,15,16).
What are the key properties of 2-chloro-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)propanamide?
2-chloro-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)propanamide has a molecular weight of 274.15 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)propanamide is sourced from PubChem (CID 108742262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).