2-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]-N,N-dimethylpropanamide

C14H18Cl2N2O2 — CID 43778180

IUPAC2-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]-N,N-dimethylpropanamide
SMILESCC(NC1CCOc2c(Cl)cc(Cl)cc21)C(=O)N(C)C
InChIInChI=1S/C14H18Cl2N2O2/c1-8(14(19)18(2)3)17-12-4-5-20-13-10(12)6-9(15)7-11(13)16/h6-8,12,17H,4-5H2,1-3H3
InChIKeyVBYUMGOLXMTZBC-UHFFFAOYSA-N
MW317.22 g/mol
LogP2.88
Rot. Bonds3

About 2-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]-N,N-dimethylpropanamide

2-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]-N,N-dimethylpropanamide (PubChem CID 43778180) has the molecular formula C14H18Cl2N2O2 and a molecular weight of 317.22 g/mol. Its IUPAC name is 2-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]-N,N-dimethylpropanamide
PubChem CID43778180
Molecular FormulaC14H18Cl2N2O2
Molecular Weight317.22 g/mol
Exact Mass316.07
IUPAC Name2-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]-N,N-dimethylpropanamide
SMILESCC(NC1CCOc2c(Cl)cc(Cl)cc21)C(=O)N(C)C
InChIInChI=1S/C14H18Cl2N2O2/c1-8(14(19)18(2)3)17-12-4-5-20-13-10(12)6-9(15)7-11(13)16/h6-8,12,17H,4-5H2,1-3H3
InChIKeyVBYUMGOLXMTZBC-UHFFFAOYSA-N
XLogP2.88
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.22
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6,8-dichloro-N-(2-methylpentan-3-yl)-3,4-dihydro-2H-chromen-4-amine
CID 63456363
6,8-dichloro-N-(1-methoxypropan-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 43758423
6,8-dichloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-3,4-dihydro-2H-chromen-4-amine
CID 43783005
6,8-dichloro-N-(6-methylheptan-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 43769266
2-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]-N-(2-methylpropyl)acetamide
CID 115920158
8-chloro-6-fluoro-N-propan-2-yl-3,4-dihydro-2H-chromen-4-amine
CID 60970604
methyl 2-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]-2-methylpropanoate
CID 43787215
4-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]-3-methylbutan-1-ol
CID 66089429
2-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-N,N-dimethylpropanamide
CID 81252167
4-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]butanoic acid
CID 60782781
2-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]-2-ethylpropane-1,3-diol
CID 103935764
6,8-dichloro-N-cyclopent-3-en-1-yl-3,4-dihydro-2H-chromen-4-amine
CID 115728526

Frequently Asked Questions

What is the IUPAC name of 2-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]-N,N-dimethylpropanamide?
The IUPAC name of 2-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]-N,N-dimethylpropanamide (CID 43778180) is 2-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]-N,N-dimethylpropanamide.
What is the SMILES notation for 2-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]-N,N-dimethylpropanamide?
The canonical SMILES for 2-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]-N,N-dimethylpropanamide is CC(NC1CCOc2c(Cl)cc(Cl)cc21)C(=O)N(C)C.
What is the InChIKey of 2-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]-N,N-dimethylpropanamide?
The InChIKey is VBYUMGOLXMTZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O2/c1-8(14(19)18(2)3)17-12-4-5-20-13-10(12)6-9(15)7-11(13)16/h6-8,12,17H,4-5H2,1-3H3.
What are the key properties of 2-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]-N,N-dimethylpropanamide?
2-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]-N,N-dimethylpropanamide has a molecular weight of 317.22 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]-N,N-dimethylpropanamide is sourced from PubChem (CID 43778180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).