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

C18H17ClN2O3 — CID 110701885

IUPACN-[2-(3-chlorophenyl)ethyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide
SMILESCC1Oc2c(cccc2C(=O)NCCc2cccc(Cl)c2)NC1=O
InChIInChI=1S/C18H17ClN2O3/c1-11-17(22)21-15-7-3-6-14(16(15)24-11)18(23)20-9-8-12-4-2-5-13(19)10-12/h2-7,10-11H,8-9H2,1H3,(H,20,23)(H,21,22)
InChIKeyMJZQGXOBIBENCE-UHFFFAOYSA-N
MW344.80 g/mol
LogP3.03
Rot. Bonds4

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

N-[2-(3-chlorophenyl)ethyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide (PubChem CID 110701885) has the molecular formula C18H17ClN2O3 and a molecular weight of 344.80 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide
PubChem CID110701885
Molecular FormulaC18H17ClN2O3
Molecular Weight344.80 g/mol
Exact Mass344.09
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide
SMILESCC1Oc2c(cccc2C(=O)NCCc2cccc(Cl)c2)NC1=O
InChIInChI=1S/C18H17ClN2O3/c1-11-17(22)21-15-7-3-6-14(16(15)24-11)18(23)20-9-8-12-4-2-5-13(19)10-12/h2-7,10-11H,8-9H2,1H3,(H,20,23)(H,21,22)
InChIKeyMJZQGXOBIBENCE-UHFFFAOYSA-N
XLogP3.03
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-(3-chlorophenyl)ethyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(3-chlorophenyl)ethyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 110682823
N-(3-aminobutyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide
CID 119499696
N-(4-chlorophenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide
CID 110701906
2-methyl-3-oxo-N-(pyridin-4-ylmethyl)-4H-1,4-benzoxazine-8-carboxamide
CID 110701855
2-benzyl-3-[(2-methyl-3-oxo-4H-1,4-benzoxazine-8-carbonyl)amino]propanoic acid
CID 119233437
2-methyl-N-(2-morpholin-4-ylethyl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide
CID 110701832
2-chloro-N-[2-(3-chlorophenyl)ethyl]benzamide
CID 873795
(2R)-2-[[[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carbonyl]amino]methyl]-3-(3-methylphenyl)propanoic acid
CID 125152255
N-[1-(2,6-dichlorophenyl)cyclopropyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide
CID 139006513
N-[2-(3-chlorophenyl)ethyl]-2-fluorobenzamide
CID 844160
2-methyl-3-oxo-N-pyridin-4-yl-4H-1,4-benzoxazine-8-carboxamide
CID 126805171
3-methyl-N-[2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]benzamide
CID 110790041

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide (CID 110701885) is N-[2-(3-chlorophenyl)ethyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide is CC1Oc2c(cccc2C(=O)NCCc2cccc(Cl)c2)NC1=O.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide?
The InChIKey is MJZQGXOBIBENCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O3/c1-11-17(22)21-15-7-3-6-14(16(15)24-11)18(23)20-9-8-12-4-2-5-13(19)10-12/h2-7,10-11H,8-9H2,1H3,(H,20,23)(H,21,22).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide?
N-[2-(3-chlorophenyl)ethyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide has a molecular weight of 344.80 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide is sourced from PubChem (CID 110701885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).