2-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)amino]-N-phenyl-N-propan-2-ylacetamide

C19H20ClN3O3 — CID 33017501

IUPAC2-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)amino]-N-phenyl-N-propan-2-ylacetamide
SMILESCC(C)N(C(=O)CNc1cc2c(cc1Cl)NC(=O)CO2)c1ccccc1
InChIInChI=1S/C19H20ClN3O3/c1-12(2)23(13-6-4-3-5-7-13)19(25)10-21-15-9-17-16(8-14(15)20)22-18(24)11-26-17/h3-9,12,21H,10-11H2,1-2H3,(H,22,24)
InChIKeyQEYHAKQTJQSRJZ-UHFFFAOYSA-N
MW373.84 g/mol
LogP3.52
Rot. Bonds5

About 2-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)amino]-N-phenyl-N-propan-2-ylacetamide

2-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)amino]-N-phenyl-N-propan-2-ylacetamide (PubChem CID 33017501) has the molecular formula C19H20ClN3O3 and a molecular weight of 373.84 g/mol. Its IUPAC name is 2-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)amino]-N-phenyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)amino]-N-phenyl-N-propan-2-ylacetamide
PubChem CID33017501
Molecular FormulaC19H20ClN3O3
Molecular Weight373.84 g/mol
Exact Mass373.12
IUPAC Name2-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)amino]-N-phenyl-N-propan-2-ylacetamide
SMILESCC(C)N(C(=O)CNc1cc2c(cc1Cl)NC(=O)CO2)c1ccccc1
InChIInChI=1S/C19H20ClN3O3/c1-12(2)23(13-6-4-3-5-7-13)19(25)10-21-15-9-17-16(8-14(15)20)22-18(24)11-26-17/h3-9,12,21H,10-11H2,1-2H3,(H,22,24)
InChIKeyQEYHAKQTJQSRJZ-UHFFFAOYSA-N
XLogP3.52
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)amino]-N-phenyl-N-propan-2-ylacetamide with MolForge

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Related Compounds

2-(2,5-dichloroanilino)-N-phenyl-N-propan-2-ylacetamide
CID 2408074
2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-N-phenyl-N-propan-2-ylacetamide
CID 30633364
N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-2-(methylamino)acetamide
CID 43705165
6-chloro-7-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-4H-1,4-benzoxazin-3-one
CID 71897217
2-bromo-N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)propanamide
CID 107903711
7-[(2-bromophenyl)methylamino]-6-chloro-4H-1,4-benzoxazin-3-one
CID 43692888
7-(1-aminopropan-2-ylamino)-6-chloro-4H-1,4-benzoxazin-3-one
CID 103388297
6-chloro-7-(pyridin-2-ylmethylamino)-4H-1,4-benzoxazin-3-one
CID 43692882
2-(4-chloro-2,5-dimethoxyanilino)-N-phenyl-N-propan-2-ylacetamide
CID 30573201
2-amino-N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-3-methylbutanamide
CID 43705148
2-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl-methylamino]-N-(1-phenylethyl)acetamide
CID 126459013
N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-3-(2-methylpropoxy)benzamide
CID 55620019

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)amino]-N-phenyl-N-propan-2-ylacetamide?
The IUPAC name of 2-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)amino]-N-phenyl-N-propan-2-ylacetamide (CID 33017501) is 2-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)amino]-N-phenyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)amino]-N-phenyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)amino]-N-phenyl-N-propan-2-ylacetamide is CC(C)N(C(=O)CNc1cc2c(cc1Cl)NC(=O)CO2)c1ccccc1.
What is the InChIKey of 2-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)amino]-N-phenyl-N-propan-2-ylacetamide?
The InChIKey is QEYHAKQTJQSRJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O3/c1-12(2)23(13-6-4-3-5-7-13)19(25)10-21-15-9-17-16(8-14(15)20)22-18(24)11-26-17/h3-9,12,21H,10-11H2,1-2H3,(H,22,24).
What are the key properties of 2-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)amino]-N-phenyl-N-propan-2-ylacetamide?
2-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)amino]-N-phenyl-N-propan-2-ylacetamide has a molecular weight of 373.84 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)amino]-N-phenyl-N-propan-2-ylacetamide is sourced from PubChem (CID 33017501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).