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

C14H18Cl2N2O3 — CID 115708014

IUPAC2-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CNC1CCOc2c(Cl)cc(Cl)cc21
InChIInChI=1S/C14H18Cl2N2O3/c1-20-5-3-17-13(19)8-18-12-2-4-21-14-10(12)6-9(15)7-11(14)16/h6-7,12,18H,2-5,8H2,1H3,(H,17,19)
InChIKeyKRNLWNOAFKFTTM-UHFFFAOYSA-N
MW333.22 g/mol
LogP2.17
Rot. Bonds6

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

2-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]-N-(2-methoxyethyl)acetamide (PubChem CID 115708014) has the molecular formula C14H18Cl2N2O3 and a molecular weight of 333.22 g/mol. Its IUPAC name is 2-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]-N-(2-methoxyethyl)acetamide
PubChem CID115708014
Molecular FormulaC14H18Cl2N2O3
Molecular Weight333.22 g/mol
Exact Mass332.07
IUPAC Name2-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CNC1CCOc2c(Cl)cc(Cl)cc21
InChIInChI=1S/C14H18Cl2N2O3/c1-20-5-3-17-13(19)8-18-12-2-4-21-14-10(12)6-9(15)7-11(14)16/h6-7,12,18H,2-5,8H2,1H3,(H,17,19)
InChIKeyKRNLWNOAFKFTTM-UHFFFAOYSA-N
XLogP2.17
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.22
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]-N-(2-methylpropyl)acetamide
CID 115920158
6,8-dichloro-N-(3-methoxypropyl)-3,4-dihydro-2H-chromen-4-amine
CID 43769607
2-[2-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]ethoxy]acetamide
CID 106235366
4-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]butanoic acid
CID 60782781
N'-(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)ethane-1,2-diamine
CID 60888947
6,8-dichloro-N-(1-methoxypropan-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 43758423
2-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-N-(2-methoxyethyl)acetamide
CID 112552936
methyl 2-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]-2-methylpropanoate
CID 43787215
2-(3,4-dihydro-2H-chromen-4-ylamino)-N-(3-methoxypropyl)acetamide
CID 60693734
4-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]-3-methylbutan-1-ol
CID 66089429
3-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]-1,1-difluoropropan-2-ol
CID 103788042
2-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]-N,N-dimethylpropanamide
CID 43778180

Frequently Asked Questions

What is the IUPAC name of 2-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]-N-(2-methoxyethyl)acetamide (CID 115708014) is 2-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]-N-(2-methoxyethyl)acetamide is COCCNC(=O)CNC1CCOc2c(Cl)cc(Cl)cc21.
What is the InChIKey of 2-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]-N-(2-methoxyethyl)acetamide?
The InChIKey is KRNLWNOAFKFTTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O3/c1-20-5-3-17-13(19)8-18-12-2-4-21-14-10(12)6-9(15)7-11(14)16/h6-7,12,18H,2-5,8H2,1H3,(H,17,19).
What are the key properties of 2-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]-N-(2-methoxyethyl)acetamide?
2-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]-N-(2-methoxyethyl)acetamide has a molecular weight of 333.22 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 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-(2-methoxyethyl)acetamide is sourced from PubChem (CID 115708014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).