3-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-1,1-diethylurea

C14H19ClN2O2 — CID 108742260

IUPAC3-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-1,1-diethylurea
SMILESCCN(CC)C(=O)NC1CCOc2ccc(Cl)cc21
InChIInChI=1S/C14H19ClN2O2/c1-3-17(4-2)14(18)16-12-7-8-19-13-6-5-10(15)9-11(12)13/h5-6,9,12H,3-4,7-8H2,1-2H3,(H,16,18)
InChIKeyNDURDWCZDODLRT-UHFFFAOYSA-N
MW282.77 g/mol
LogP3.21
Rot. Bonds3

About 3-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-1,1-diethylurea

3-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-1,1-diethylurea (PubChem CID 108742260) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 3-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-1,1-diethylurea.

Molecular Properties

Compound Name3-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-1,1-diethylurea
PubChem CID108742260
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name3-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-1,1-diethylurea
SMILESCCN(CC)C(=O)NC1CCOc2ccc(Cl)cc21
InChIInChI=1S/C14H19ClN2O2/c1-3-17(4-2)14(18)16-12-7-8-19-13-6-5-10(15)9-11(12)13/h5-6,9,12H,3-4,7-8H2,1-2H3,(H,16,18)
InChIKeyNDURDWCZDODLRT-UHFFFAOYSA-N
XLogP3.21
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)propanamide
CID 108742262
4-chloro-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)benzamide
CID 108764686
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
2-(1-adamantyl)-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)acetamide
CID 108764701
(6-chloro-3,4-dihydro-2H-chromen-4-yl)hydrazine
CID 53403029
(R)-N-[(4R)-6-chloro-3,4-dihydro-2H-chromen-4-yl]-2-methylpropane-2-sulfinamide
CID 155789629
(E)-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-3-(2,4-dichlorophenyl)prop-2-enamide
CID 108764745
N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-4-phenoxybutanamide
CID 108764801
2-(4-bromophenoxy)-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)propanamide
CID 108742340
N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-3-(2-methylpropoxy)benzamide
CID 108742175
N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide
CID 108742310

Frequently Asked Questions

What is the IUPAC name of 3-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-1,1-diethylurea?
The IUPAC name of 3-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-1,1-diethylurea (CID 108742260) is 3-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-1,1-diethylurea.
What is the SMILES notation for 3-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-1,1-diethylurea?
The canonical SMILES for 3-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-1,1-diethylurea is CCN(CC)C(=O)NC1CCOc2ccc(Cl)cc21.
What is the InChIKey of 3-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-1,1-diethylurea?
The InChIKey is NDURDWCZDODLRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-3-17(4-2)14(18)16-12-7-8-19-13-6-5-10(15)9-11(12)13/h5-6,9,12H,3-4,7-8H2,1-2H3,(H,16,18).
What are the key properties of 3-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-1,1-diethylurea?
3-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-1,1-diethylurea has a molecular weight of 282.77 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-1,1-diethylurea is sourced from PubChem (CID 108742260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).