N-(4-chlorophenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide

C16H13ClN2O3 — CID 110701906

IUPACN-(4-chlorophenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide
SMILESCC1Oc2c(cccc2C(=O)Nc2ccc(Cl)cc2)NC1=O
InChIInChI=1S/C16H13ClN2O3/c1-9-15(20)19-13-4-2-3-12(14(13)22-9)16(21)18-11-7-5-10(17)6-8-11/h2-9H,1H3,(H,18,21)(H,19,20)
InChIKeyMBWBBSSFTYKJCH-UHFFFAOYSA-N
MW316.74 g/mol
LogP3.31
Rot. Bonds2

About N-(4-chlorophenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide

N-(4-chlorophenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide (PubChem CID 110701906) has the molecular formula C16H13ClN2O3 and a molecular weight of 316.74 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide
PubChem CID110701906
Molecular FormulaC16H13ClN2O3
Molecular Weight316.74 g/mol
Exact Mass316.06
IUPAC NameN-(4-chlorophenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide
SMILESCC1Oc2c(cccc2C(=O)Nc2ccc(Cl)cc2)NC1=O
InChIInChI=1S/C16H13ClN2O3/c1-9-15(20)19-13-4-2-3-12(14(13)22-9)16(21)18-11-7-5-10(17)6-8-11/h2-9H,1H3,(H,18,21)(H,19,20)
InChIKeyMBWBBSSFTYKJCH-UHFFFAOYSA-N
XLogP3.31
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.74
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-oxo-N-pyridin-4-yl-4H-1,4-benzoxazine-8-carboxamide
CID 126805171
N-(3,4-dimethylphenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide
CID 110701895
2-methyl-2-[4-[(2-methyl-3-oxo-4H-1,4-benzoxazine-8-carbonyl)amino]phenyl]propanoic acid
CID 119253854
2-methyl-3-oxo-N-propan-2-yl-4H-1,4-benzoxazine-8-carboxamide
CID 110701815
(2S)-2-methyl-N-(2-methyl-1,3-benzoxazol-6-yl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide
CID 95330780
N-[1-(2,6-dichlorophenyl)cyclopropyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide
CID 139006513
N-[2-(3-chlorophenyl)ethyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide
CID 110701885
2-methyl-N-[3-(methylamino)propyl]-3-oxo-4H-1,4-benzoxazine-8-carboxamide
CID 119434263
3-methyl-2-[(2-methyl-3-oxo-4H-1,4-benzoxazine-8-carbonyl)amino]pentanoic acid
CID 119211510
(2S)-2-methyl-4-oxo-N-phenyl-3,5-dihydro-2H-1,5-benzoxazepine-9-carboxamide
CID 121278040
N-(3-aminobutyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide
CID 119499696
(2R)-2-methyl-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide
CID 95348443

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide (CID 110701906) is N-(4-chlorophenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide is CC1Oc2c(cccc2C(=O)Nc2ccc(Cl)cc2)NC1=O.
What is the InChIKey of N-(4-chlorophenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide?
The InChIKey is MBWBBSSFTYKJCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O3/c1-9-15(20)19-13-4-2-3-12(14(13)22-9)16(21)18-11-7-5-10(17)6-8-11/h2-9H,1H3,(H,18,21)(H,19,20).
What are the key properties of N-(4-chlorophenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide?
N-(4-chlorophenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide has a molecular weight of 316.74 g/mol, XLogP of 3.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide is sourced from PubChem (CID 110701906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).