N-(5-chloro-2-methylphenyl)-2-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)amino]propanamide

C19H20ClN3O3 — CID 46667088

IUPACN-(5-chloro-2-methylphenyl)-2-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)amino]propanamide
SMILESCc1ccc(Cl)cc1NC(=O)C(C)Nc1ccc2c(c1)NC(=O)C(C)O2
InChIInChI=1S/C19H20ClN3O3/c1-10-4-5-13(20)8-15(10)22-18(24)11(2)21-14-6-7-17-16(9-14)23-19(25)12(3)26-17/h4-9,11-12,21H,1-3H3,(H,22,24)(H,23,25)
InChIKeyJGPDATZVSYFOMO-UHFFFAOYSA-N
MW373.84 g/mol
LogP3.81
Rot. Bonds4

About N-(5-chloro-2-methylphenyl)-2-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)amino]propanamide

N-(5-chloro-2-methylphenyl)-2-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)amino]propanamide (PubChem CID 46667088) has the molecular formula C19H20ClN3O3 and a molecular weight of 373.84 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)amino]propanamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)amino]propanamide
PubChem CID46667088
Molecular FormulaC19H20ClN3O3
Molecular Weight373.84 g/mol
Exact Mass373.12
IUPAC NameN-(5-chloro-2-methylphenyl)-2-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)amino]propanamide
SMILESCc1ccc(Cl)cc1NC(=O)C(C)Nc1ccc2c(c1)NC(=O)C(C)O2
InChIInChI=1S/C19H20ClN3O3/c1-10-4-5-13(20)8-15(10)22-18(24)11(2)21-14-6-7-17-16(9-14)23-19(25)12(3)26-17/h4-9,11-12,21H,1-3H3,(H,22,24)(H,23,25)
InChIKeyJGPDATZVSYFOMO-UHFFFAOYSA-N
XLogP3.81
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 53.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-[[(2S)-2-[[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]amino]propanoyl]amino]benzamide
CID 25356773
(2S)-2-(4-chlorophenyl)-3-methyl-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]butanamide
CID 9145300
(2S)-N-(5-chloro-2-methylphenyl)-2-(4-iodoanilino)propanamide
CID 9431031
(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)carbamic acid
CID 115170648
2-(2-bromo-4-chlorophenoxy)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)propanamide
CID 46643155
(2S)-6-[[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]amino]-2-methyl-4H-1,4-benzoxazin-3-one
CID 25329669
N-(5-chloro-2-methylphenyl)-2-[4-(methanesulfonamido)anilino]propanamide
CID 51333962
1-(3-fluoro-4-methylphenyl)-3-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]thiourea
CID 8563794
2-amino-3-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)butanamide;hydrochloride
CID 119273978
N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-2-(propan-2-ylamino)acetamide
CID 60843067
6-(hexan-3-ylamino)-2-methyl-4H-1,4-benzoxazin-3-one
CID 103930986
2-(5-chloro-2-methoxyphenyl)-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]acetamide
CID 9147824

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)amino]propanamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)amino]propanamide (CID 46667088) is N-(5-chloro-2-methylphenyl)-2-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)amino]propanamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)amino]propanamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)amino]propanamide is Cc1ccc(Cl)cc1NC(=O)C(C)Nc1ccc2c(c1)NC(=O)C(C)O2.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)amino]propanamide?
The InChIKey is JGPDATZVSYFOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O3/c1-10-4-5-13(20)8-15(10)22-18(24)11(2)21-14-6-7-17-16(9-14)23-19(25)12(3)26-17/h4-9,11-12,21H,1-3H3,(H,22,24)(H,23,25).
What are the key properties of N-(5-chloro-2-methylphenyl)-2-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)amino]propanamide?
N-(5-chloro-2-methylphenyl)-2-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)amino]propanamide has a molecular weight of 373.84 g/mol, XLogP of 3.81, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-2-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)amino]propanamide is sourced from PubChem (CID 46667088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).