N-(3,5-dichlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide

C15H12Cl2N2O2 — CID 43100505

IUPACN-(3,5-dichlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)C1CNc2ccccc2O1
InChIInChI=1S/C15H12Cl2N2O2/c16-9-5-10(17)7-11(6-9)19-15(20)14-8-18-12-3-1-2-4-13(12)21-14/h1-7,14,18H,8H2,(H,19,20)
InChIKeyCEZGLPNZGWKCOW-UHFFFAOYSA-N
MW323.18 g/mol
LogP3.81
Rot. Bonds2

About N-(3,5-dichlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide

N-(3,5-dichlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide (PubChem CID 43100505) has the molecular formula C15H12Cl2N2O2 and a molecular weight of 323.18 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
PubChem CID43100505
Molecular FormulaC15H12Cl2N2O2
Molecular Weight323.18 g/mol
Exact Mass322.03
IUPAC NameN-(3,5-dichlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)C1CNc2ccccc2O1
InChIInChI=1S/C15H12Cl2N2O2/c16-9-5-10(17)7-11(6-9)19-15(20)14-8-18-12-3-1-2-4-13(12)21-14/h1-7,14,18H,8H2,(H,19,20)
InChIKeyCEZGLPNZGWKCOW-UHFFFAOYSA-N
XLogP3.81
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.18
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromo-5-methylphenyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 107583524
N-(3-bromophenyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 24694997
N-(4-fluoro-3-methylphenyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 62811648
N-(4-chloro-2-iodophenyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 107625509
N-(2-methyl-4-pyridinyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 79240195
N-(3-hydroxy-4-methylphenyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 107701393
N-(1H-pyrazol-4-yl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 43540252
N-(2-chloro-6-methylphenyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 66256274
N-(2-hydroxyethyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 43242556
(2S)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate
CID 7020375
N-pyridazin-3-yl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 116786757
N-(1H-imidazol-2-yl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 55215106

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide?
The IUPAC name of N-(3,5-dichlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide (CID 43100505) is N-(3,5-dichlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide is O=C(Nc1cc(Cl)cc(Cl)c1)C1CNc2ccccc2O1.
What is the InChIKey of N-(3,5-dichlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide?
The InChIKey is CEZGLPNZGWKCOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2O2/c16-9-5-10(17)7-11(6-9)19-15(20)14-8-18-12-3-1-2-4-13(12)21-14/h1-7,14,18H,8H2,(H,19,20).
What are the key properties of N-(3,5-dichlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide?
N-(3,5-dichlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide has a molecular weight of 323.18 g/mol, XLogP of 3.81, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide is sourced from PubChem (CID 43100505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).