2-chloro-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)benzamide

C16H15ClN2O2 — CID 110639571

IUPAC2-chloro-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)benzamide
SMILESCN1CCOc2ccc(NC(=O)c3ccccc3Cl)cc21
InChIInChI=1S/C16H15ClN2O2/c1-19-8-9-21-15-7-6-11(10-14(15)19)18-16(20)12-4-2-3-5-13(12)17/h2-7,10H,8-9H2,1H3,(H,18,20)
InChIKeyCDNQJOGOXTXQJO-UHFFFAOYSA-N
MW302.76 g/mol
LogP3.42
Rot. Bonds2

About 2-chloro-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)benzamide

2-chloro-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)benzamide (PubChem CID 110639571) has the molecular formula C16H15ClN2O2 and a molecular weight of 302.76 g/mol. Its IUPAC name is 2-chloro-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)benzamide
PubChem CID110639571
Molecular FormulaC16H15ClN2O2
Molecular Weight302.76 g/mol
Exact Mass302.08
IUPAC Name2-chloro-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)benzamide
SMILESCN1CCOc2ccc(NC(=O)c3ccccc3Cl)cc21
InChIInChI=1S/C16H15ClN2O2/c1-19-8-9-21-15-7-6-11(10-14(15)19)18-16(20)12-4-2-3-5-13(12)17/h2-7,10H,8-9H2,1H3,(H,18,20)
InChIKeyCDNQJOGOXTXQJO-UHFFFAOYSA-N
XLogP3.42
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)pyridine-2-carboxamide
CID 110744724
2-bromo-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)benzamide
CID 110412580
N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)furan-2-carboxamide
CID 110639535
2,6-dibromo-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)benzamide
CID 167856806
N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)thiophene-2-carboxamide
CID 110639536
4-(dimethylamino)-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)benzamide
CID 110744732
2-methyl-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)propanamide
CID 110639526
3-amino-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)propanamide
CID 83626295
N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)-4-(trifluoromethyl)benzamide
CID 110412476
N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)morpholine-4-carboxamide
CID 110639589
2-methyl-N-(4-methyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)benzamide
CID 40957925
N-(4-acetyl-2,3-dihydro-1,4-benzoxazin-6-yl)-2-bromobenzamide
CID 110639759

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)benzamide?
The IUPAC name of 2-chloro-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)benzamide (CID 110639571) is 2-chloro-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)benzamide.
What is the SMILES notation for 2-chloro-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)benzamide?
The canonical SMILES for 2-chloro-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)benzamide is CN1CCOc2ccc(NC(=O)c3ccccc3Cl)cc21.
What is the InChIKey of 2-chloro-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)benzamide?
The InChIKey is CDNQJOGOXTXQJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O2/c1-19-8-9-21-15-7-6-11(10-14(15)19)18-16(20)12-4-2-3-5-13(12)17/h2-7,10H,8-9H2,1H3,(H,18,20).
What are the key properties of 2-chloro-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)benzamide?
2-chloro-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)benzamide has a molecular weight of 302.76 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)benzamide is sourced from PubChem (CID 110639571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).