2-amino-N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)acetamide

C10H10ClN3O3 — CID 43705147

IUPAC2-amino-N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)acetamide
SMILESNCC(=O)Nc1cc2c(cc1Cl)NC(=O)CO2
InChIInChI=1S/C10H10ClN3O3/c11-5-1-7-8(17-4-10(16)14-7)2-6(5)13-9(15)3-12/h1-2H,3-4,12H2,(H,13,15)(H,14,16)
InChIKeyFACVKBDMSGZRIK-UHFFFAOYSA-N
MW255.66 g/mol
LogP0.57
Rot. Bonds2

About 2-amino-N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)acetamide

2-amino-N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)acetamide (PubChem CID 43705147) has the molecular formula C10H10ClN3O3 and a molecular weight of 255.66 g/mol. Its IUPAC name is 2-amino-N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)acetamide
PubChem CID43705147
Molecular FormulaC10H10ClN3O3
Molecular Weight255.66 g/mol
Exact Mass255.04
IUPAC Name2-amino-N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)acetamide
SMILESNCC(=O)Nc1cc2c(cc1Cl)NC(=O)CO2
InChIInChI=1S/C10H10ClN3O3/c11-5-1-7-8(17-4-10(16)14-7)2-6(5)13-9(15)3-12/h1-2H,3-4,12H2,(H,13,15)(H,14,16)
InChIKeyFACVKBDMSGZRIK-UHFFFAOYSA-N
XLogP0.57
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.66
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-2-(methylamino)acetamide
CID 43705165
2-(azetidin-3-yl)-N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)acetamide
CID 64617792
2-amino-N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-2-ethylbutanamide
CID 79813771
2-(aminomethyl)-N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)pentanamide
CID 65224903
N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-2-(2-methoxyethylamino)acetamide
CID 79272383
2-amino-N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-3-methylbutanamide
CID 43705148
2-bromo-N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)propanamide
CID 107903711
(E)-4-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)amino]-4-oxobut-2-enoic acid
CID 60941243
(2S)-2-amino-N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-3-methylbutanamide;hydrochloride
CID 119288721
7-(1-aminopropan-2-ylamino)-6-chloro-4H-1,4-benzoxazin-3-one
CID 103388297
N-[3-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 47029795
N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-3-piperidin-4-ylbutanamide
CID 119722257

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)acetamide?
The IUPAC name of 2-amino-N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)acetamide (CID 43705147) is 2-amino-N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)acetamide.
What is the SMILES notation for 2-amino-N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)acetamide?
The canonical SMILES for 2-amino-N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)acetamide is NCC(=O)Nc1cc2c(cc1Cl)NC(=O)CO2.
What is the InChIKey of 2-amino-N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)acetamide?
The InChIKey is FACVKBDMSGZRIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O3/c11-5-1-7-8(17-4-10(16)14-7)2-6(5)13-9(15)3-12/h1-2H,3-4,12H2,(H,13,15)(H,14,16).
What are the key properties of 2-amino-N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)acetamide?
2-amino-N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)acetamide has a molecular weight of 255.66 g/mol, XLogP of 0.57, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)acetamide is sourced from PubChem (CID 43705147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).