6-chloro-N,N-diethyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide

C13H17ClN2O2 — CID 110639469

IUPAC6-chloro-N,N-diethyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide
SMILESCCN(CC)C(=O)N1CCOc2ccc(Cl)cc21
InChIInChI=1S/C13H17ClN2O2/c1-3-15(4-2)13(17)16-7-8-18-12-6-5-10(14)9-11(12)16/h5-6,9H,3-4,7-8H2,1-2H3
InChIKeyBCUDUYDURDSNFK-UHFFFAOYSA-N
MW268.74 g/mol
LogP3.00
Rot. Bonds2

About 6-chloro-N,N-diethyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide

6-chloro-N,N-diethyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide (PubChem CID 110639469) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is 6-chloro-N,N-diethyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide.

Molecular Properties

Compound Name6-chloro-N,N-diethyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide
PubChem CID110639469
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name6-chloro-N,N-diethyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide
SMILESCCN(CC)C(=O)N1CCOc2ccc(Cl)cc21
InChIInChI=1S/C13H17ClN2O2/c1-3-15(4-2)13(17)16-7-8-18-12-6-5-10(14)9-11(12)16/h5-6,9H,3-4,7-8H2,1-2H3
InChIKeyBCUDUYDURDSNFK-UHFFFAOYSA-N
XLogP3.00
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(4-ethoxyphenyl)ethanone
CID 110639444
N,N-diethyl-3,4-dihydro-2H-1,5-benzoxazepine-5-carboxamide
CID 116657610
1-(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(4-fluorophenyl)ethanone
CID 110639441
6-chloro-N-(4-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 22521483
(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)-(2-fluorophenyl)methanone
CID 110639427
1-(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)-2-phenoxyethanone
CID 110639446
benzyl 6-chloro-2,3-dihydro-1,4-benzoxazine-4-carboxylate
CID 86287947
6-chloro-N-(2-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 22521484
1-(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)-3-phenoxypropan-1-one
CID 110639448
N,N,6-trimethyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 110639196
1-(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(2-fluorophenoxy)ethanone
CID 110714320
6-chloro-N-(2,3-dimethylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 22521477

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N,N-diethyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
The IUPAC name of 6-chloro-N,N-diethyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide (CID 110639469) is 6-chloro-N,N-diethyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide.
What is the SMILES notation for 6-chloro-N,N-diethyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
The canonical SMILES for 6-chloro-N,N-diethyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide is CCN(CC)C(=O)N1CCOc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-N,N-diethyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
The InChIKey is BCUDUYDURDSNFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-3-15(4-2)13(17)16-7-8-18-12-6-5-10(14)9-11(12)16/h5-6,9H,3-4,7-8H2,1-2H3.
What are the key properties of 6-chloro-N,N-diethyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
6-chloro-N,N-diethyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide has a molecular weight of 268.74 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N,N-diethyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide is sourced from PubChem (CID 110639469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).