N-[[6-chloro-2-oxo-4-(trifluoromethyl)-1H-3,1-benzoxazin-4-yl]methyl]-4-methoxybenzamide

C18H14ClF3N2O4 — CID 44550158

IUPACN-[[6-chloro-2-oxo-4-(trifluoromethyl)-1H-3,1-benzoxazin-4-yl]methyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC2(C(F)(F)F)OC(=O)Nc3ccc(Cl)cc32)cc1
InChIInChI=1S/C18H14ClF3N2O4/c1-27-12-5-2-10(3-6-12)15(25)23-9-17(18(20,21)22)13-8-11(19)4-7-14(13)24-16(26)28-17/h2-8H,9H2,1H3,(H,23,25)(H,24,26)
InChIKeyUTQUTYRCYJNMQO-UHFFFAOYSA-N
MW414.77 g/mol
LogP4.10
Rot. Bonds4

About N-[[6-chloro-2-oxo-4-(trifluoromethyl)-1H-3,1-benzoxazin-4-yl]methyl]-4-methoxybenzamide

N-[[6-chloro-2-oxo-4-(trifluoromethyl)-1H-3,1-benzoxazin-4-yl]methyl]-4-methoxybenzamide (PubChem CID 44550158) has the molecular formula C18H14ClF3N2O4 and a molecular weight of 414.77 g/mol. Its IUPAC name is N-[[6-chloro-2-oxo-4-(trifluoromethyl)-1H-3,1-benzoxazin-4-yl]methyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[[6-chloro-2-oxo-4-(trifluoromethyl)-1H-3,1-benzoxazin-4-yl]methyl]-4-methoxybenzamide
PubChem CID44550158
Molecular FormulaC18H14ClF3N2O4
Molecular Weight414.77 g/mol
Exact Mass414.06
IUPAC NameN-[[6-chloro-2-oxo-4-(trifluoromethyl)-1H-3,1-benzoxazin-4-yl]methyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC2(C(F)(F)F)OC(=O)Nc3ccc(Cl)cc32)cc1
InChIInChI=1S/C18H14ClF3N2O4/c1-27-12-5-2-10(3-6-12)15(25)23-9-17(18(20,21)22)13-8-11(19)4-7-14(13)24-16(26)28-17/h2-8H,9H2,1H3,(H,23,25)(H,24,26)
InChIKeyUTQUTYRCYJNMQO-UHFFFAOYSA-N
XLogP4.10
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.77
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[6-chloro-2-oxo-4-(trifluoromethyl)-1H-3,1-benzoxazin-4-yl]methyl]-4-methoxybenzamide with MolForge

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Related Compounds

N-[(3,3-dimethyl-2-oxo-1H-indol-5-yl)methyl]-4-methoxybenzamide
CID 110784000
4-chloro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 40617546
1-(2-amino-5-chlorophenyl)-2,2,2-trifluoroethanone;N-[3-[6-chloro-2-oxo-4-(trifluoromethyl)-1H-3,1-benzoxazin-4-yl]propyl]benzenesulfonamide
CID 158017401
N-[2-(5-chloro-2-methoxyphenyl)ethyl]-4-methoxybenzamide
CID 110787720
N-(3-chloro-2,2-dimethylpropyl)-4-methoxybenzamide
CID 115364498
N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-4-(trifluoromethyl)benzamide
CID 42265583
4-methoxy-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]benzamide
CID 108537590
N-(2,2-difluoro-3-hydroxypropyl)-4-methoxybenzamide
CID 104857865
N-[2-(4-methoxyphenyl)-2-methylpropyl]-4-(trifluoromethyl)benzamide
CID 113090468
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate
CID 8788729
N-[2-(2,5-difluorophenyl)ethyl]-4-methoxybenzamide
CID 110788169
4-chloro-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]benzamide
CID 122262337

Frequently Asked Questions

What is the IUPAC name of N-[[6-chloro-2-oxo-4-(trifluoromethyl)-1H-3,1-benzoxazin-4-yl]methyl]-4-methoxybenzamide?
The IUPAC name of N-[[6-chloro-2-oxo-4-(trifluoromethyl)-1H-3,1-benzoxazin-4-yl]methyl]-4-methoxybenzamide (CID 44550158) is N-[[6-chloro-2-oxo-4-(trifluoromethyl)-1H-3,1-benzoxazin-4-yl]methyl]-4-methoxybenzamide.
What is the SMILES notation for N-[[6-chloro-2-oxo-4-(trifluoromethyl)-1H-3,1-benzoxazin-4-yl]methyl]-4-methoxybenzamide?
The canonical SMILES for N-[[6-chloro-2-oxo-4-(trifluoromethyl)-1H-3,1-benzoxazin-4-yl]methyl]-4-methoxybenzamide is COc1ccc(C(=O)NCC2(C(F)(F)F)OC(=O)Nc3ccc(Cl)cc32)cc1.
What is the InChIKey of N-[[6-chloro-2-oxo-4-(trifluoromethyl)-1H-3,1-benzoxazin-4-yl]methyl]-4-methoxybenzamide?
The InChIKey is UTQUTYRCYJNMQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClF3N2O4/c1-27-12-5-2-10(3-6-12)15(25)23-9-17(18(20,21)22)13-8-11(19)4-7-14(13)24-16(26)28-17/h2-8H,9H2,1H3,(H,23,25)(H,24,26).
What are the key properties of N-[[6-chloro-2-oxo-4-(trifluoromethyl)-1H-3,1-benzoxazin-4-yl]methyl]-4-methoxybenzamide?
N-[[6-chloro-2-oxo-4-(trifluoromethyl)-1H-3,1-benzoxazin-4-yl]methyl]-4-methoxybenzamide has a molecular weight of 414.77 g/mol, XLogP of 4.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-chloro-2-oxo-4-(trifluoromethyl)-1H-3,1-benzoxazin-4-yl]methyl]-4-methoxybenzamide is sourced from PubChem (CID 44550158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).