N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetamide

C18H17ClN2O4 — CID 39058806

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)CN1CC(=O)Oc2ccccc21
InChIInChI=1S/C18H17ClN2O4/c1-11-7-13(16(24-2)8-12(11)19)20-17(22)9-21-10-18(23)25-15-6-4-3-5-14(15)21/h3-8H,9-10H2,1-2H3,(H,20,22)
InChIKeyQSGZVMVEOZDXOG-UHFFFAOYSA-N
MW360.80 g/mol
LogP3.02
Rot. Bonds4

About N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetamide

N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetamide (PubChem CID 39058806) has the molecular formula C18H17ClN2O4 and a molecular weight of 360.80 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetamide
PubChem CID39058806
Molecular FormulaC18H17ClN2O4
Molecular Weight360.80 g/mol
Exact Mass360.09
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)CN1CC(=O)Oc2ccccc21
InChIInChI=1S/C18H17ClN2O4/c1-11-7-13(16(24-2)8-12(11)19)20-17(22)9-21-10-18(23)25-15-6-4-3-5-14(15)21/h3-8H,9-10H2,1-2H3,(H,20,22)
InChIKeyQSGZVMVEOZDXOG-UHFFFAOYSA-N
XLogP3.02
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.80
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

N-(3-chloro-4-methylphenyl)-2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetamide
CID 18837562
4-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 42890517
methyl 2-[[2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetyl]amino]benzoate
CID 39058834
2-(6-chloro-2-oxo-3H-1,4-benzoxazin-4-yl)-N-(2,5-dimethoxyphenyl)acetamide
CID 39059673
2-[4-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]piperazin-1-yl]-N-phenylacetamide
CID 31291782
N-(5-acetamido-2-methoxyphenyl)-2-(6-chloro-2-oxo-3H-1,4-benzoxazin-4-yl)acetamide
CID 56761541
2-[7-(aminomethyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 167855453
N-(3-chloro-4-methoxyphenyl)-2-(6-methyl-2-oxo-3H-1,4-benzoxazin-4-yl)acetamide
CID 39059094
2-chloro-5-[[2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetyl]amino]benzoic acid
CID 39058832
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 23410059
N-(2-methoxyphenyl)-2-(7-nitro-2-oxo-3H-1,4-benzoxazin-4-yl)acetamide
CID 39060500
N-(6-methoxy-3-pyridinyl)-2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetamide
CID 56762271

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetamide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetamide (CID 39058806) is N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetamide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetamide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetamide is COc1cc(Cl)c(C)cc1NC(=O)CN1CC(=O)Oc2ccccc21.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetamide?
The InChIKey is QSGZVMVEOZDXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O4/c1-11-7-13(16(24-2)8-12(11)19)20-17(22)9-21-10-18(23)25-15-6-4-3-5-14(15)21/h3-8H,9-10H2,1-2H3,(H,20,22).
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetamide?
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetamide has a molecular weight of 360.80 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetamide is sourced from PubChem (CID 39058806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).