N-[4-[(4-fluorophenyl)methyl]-6,8-dimethyl-2,3-dihydro-1,4-benzoxazin-7-yl]-2-(1-methylcyclopropyl)acetamide

C23H27FN2O2 — CID 177096273

IUPACN-[4-[(4-fluorophenyl)methyl]-6,8-dimethyl-2,3-dihydro-1,4-benzoxazin-7-yl]-2-(1-methylcyclopropyl)acetamide
SMILESCc1cc2c(c(C)c1NC(=O)CC1(C)CC1)OCCN2Cc1ccc(F)cc1
InChIInChI=1S/C23H27FN2O2/c1-15-12-19-22(16(2)21(15)25-20(27)13-23(3)8-9-23)28-11-10-26(19)14-17-4-6-18(24)7-5-17/h4-7,12H,8-11,13-14H2,1-3H3,(H,25,27)
InChIKeyMAICYNRQBGNHPH-UHFFFAOYSA-N
MW382.48 g/mol
LogP4.97
Rot. Bonds5

About N-[4-[(4-fluorophenyl)methyl]-6,8-dimethyl-2,3-dihydro-1,4-benzoxazin-7-yl]-2-(1-methylcyclopropyl)acetamide

N-[4-[(4-fluorophenyl)methyl]-6,8-dimethyl-2,3-dihydro-1,4-benzoxazin-7-yl]-2-(1-methylcyclopropyl)acetamide (PubChem CID 177096273) has the molecular formula C23H27FN2O2 and a molecular weight of 382.48 g/mol. Its IUPAC name is N-[4-[(4-fluorophenyl)methyl]-6,8-dimethyl-2,3-dihydro-1,4-benzoxazin-7-yl]-2-(1-methylcyclopropyl)acetamide.

Molecular Properties

Compound NameN-[4-[(4-fluorophenyl)methyl]-6,8-dimethyl-2,3-dihydro-1,4-benzoxazin-7-yl]-2-(1-methylcyclopropyl)acetamide
PubChem CID177096273
Molecular FormulaC23H27FN2O2
Molecular Weight382.48 g/mol
Exact Mass382.21
IUPAC NameN-[4-[(4-fluorophenyl)methyl]-6,8-dimethyl-2,3-dihydro-1,4-benzoxazin-7-yl]-2-(1-methylcyclopropyl)acetamide
SMILESCc1cc2c(c(C)c1NC(=O)CC1(C)CC1)OCCN2Cc1ccc(F)cc1
InChIInChI=1S/C23H27FN2O2/c1-15-12-19-22(16(2)21(15)25-20(27)13-23(3)8-9-23)28-11-10-26(19)14-17-4-6-18(24)7-5-17/h4-7,12H,8-11,13-14H2,1-3H3,(H,25,27)
InChIKeyMAICYNRQBGNHPH-UHFFFAOYSA-N
XLogP4.97
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-fluorophenyl)methyl]-6,8-dimethyl-2,3-dihydro-1,4-benzoxazin-7-yl]-2-(1-methylcyclopropyl)acetamide?
The IUPAC name of N-[4-[(4-fluorophenyl)methyl]-6,8-dimethyl-2,3-dihydro-1,4-benzoxazin-7-yl]-2-(1-methylcyclopropyl)acetamide (CID 177096273) is N-[4-[(4-fluorophenyl)methyl]-6,8-dimethyl-2,3-dihydro-1,4-benzoxazin-7-yl]-2-(1-methylcyclopropyl)acetamide.
What is the SMILES notation for N-[4-[(4-fluorophenyl)methyl]-6,8-dimethyl-2,3-dihydro-1,4-benzoxazin-7-yl]-2-(1-methylcyclopropyl)acetamide?
The canonical SMILES for N-[4-[(4-fluorophenyl)methyl]-6,8-dimethyl-2,3-dihydro-1,4-benzoxazin-7-yl]-2-(1-methylcyclopropyl)acetamide is Cc1cc2c(c(C)c1NC(=O)CC1(C)CC1)OCCN2Cc1ccc(F)cc1.
What is the InChIKey of N-[4-[(4-fluorophenyl)methyl]-6,8-dimethyl-2,3-dihydro-1,4-benzoxazin-7-yl]-2-(1-methylcyclopropyl)acetamide?
The InChIKey is MAICYNRQBGNHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O2/c1-15-12-19-22(16(2)21(15)25-20(27)13-23(3)8-9-23)28-11-10-26(19)14-17-4-6-18(24)7-5-17/h4-7,12H,8-11,13-14H2,1-3H3,(H,25,27).
What are the key properties of N-[4-[(4-fluorophenyl)methyl]-6,8-dimethyl-2,3-dihydro-1,4-benzoxazin-7-yl]-2-(1-methylcyclopropyl)acetamide?
N-[4-[(4-fluorophenyl)methyl]-6,8-dimethyl-2,3-dihydro-1,4-benzoxazin-7-yl]-2-(1-methylcyclopropyl)acetamide has a molecular weight of 382.48 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-fluorophenyl)methyl]-6,8-dimethyl-2,3-dihydro-1,4-benzoxazin-7-yl]-2-(1-methylcyclopropyl)acetamide is sourced from PubChem (CID 177096273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).