2-fluoro-N-[2-[(2-fluoro-4-methoxybenzoyl)-methylamino]cyclohexyl]-4-methoxy-N-methylbenzamide

C24H28F2N2O4 — CID 166182143

IUPAC2-fluoro-N-[2-[(2-fluoro-4-methoxybenzoyl)-methylamino]cyclohexyl]-4-methoxy-N-methylbenzamide
SMILESCOc1ccc(C(=O)N(C)C2CCCCC2N(C)C(=O)c2ccc(OC)cc2F)c(F)c1
InChIInChI=1S/C24H28F2N2O4/c1-27(23(29)17-11-9-15(31-3)13-19(17)25)21-7-5-6-8-22(21)28(2)24(30)18-12-10-16(32-4)14-20(18)26/h9-14,21-22H,5-8H2,1-4H3
InChIKeyGYZIHOPSLLOGCC-UHFFFAOYSA-N
MW446.49 g/mol
LogP4.14
Rot. Bonds6

About 2-fluoro-N-[2-[(2-fluoro-4-methoxybenzoyl)-methylamino]cyclohexyl]-4-methoxy-N-methylbenzamide

2-fluoro-N-[2-[(2-fluoro-4-methoxybenzoyl)-methylamino]cyclohexyl]-4-methoxy-N-methylbenzamide (PubChem CID 166182143) has the molecular formula C24H28F2N2O4 and a molecular weight of 446.49 g/mol. Its IUPAC name is 2-fluoro-N-[2-[(2-fluoro-4-methoxybenzoyl)-methylamino]cyclohexyl]-4-methoxy-N-methylbenzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-[(2-fluoro-4-methoxybenzoyl)-methylamino]cyclohexyl]-4-methoxy-N-methylbenzamide
PubChem CID166182143
Molecular FormulaC24H28F2N2O4
Molecular Weight446.49 g/mol
Exact Mass446.20
IUPAC Name2-fluoro-N-[2-[(2-fluoro-4-methoxybenzoyl)-methylamino]cyclohexyl]-4-methoxy-N-methylbenzamide
SMILESCOc1ccc(C(=O)N(C)C2CCCCC2N(C)C(=O)c2ccc(OC)cc2F)c(F)c1
InChIInChI=1S/C24H28F2N2O4/c1-27(23(29)17-11-9-15(31-3)13-19(17)25)21-7-5-6-8-22(21)28(2)24(30)18-12-10-16(32-4)14-20(18)26/h9-14,21-22H,5-8H2,1-4H3
InChIKeyGYZIHOPSLLOGCC-UHFFFAOYSA-N
XLogP4.14
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.49
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminocyclohexyl)-2-fluoro-4-methoxy-N-methylbenzamide
CID 102885408
N-(4-aminocyclohexyl)-2-fluoro-4-methoxy-N-methylbenzamide
CID 103807666
N-(2-aminocyclohexyl)-2,4-dimethoxy-N-methylbenzamide
CID 102638864
N-(2-bromocyclohexyl)-2,4-dimethoxy-N-methylbenzamide
CID 102638374
2-fluoro-N-(2-hydroxycyclohexyl)-4-methoxybenzamide
CID 103816699
2-fluoro-4-methoxy-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106607793
2-fluoro-4-methoxy-N-methyl-N-phenylbenzamide
CID 39963889
2-fluoro-N-(3-fluorophenyl)-4-methoxy-N-methylbenzamide
CID 103774616
2-[(2-fluoro-4-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid
CID 103790786
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-2,4-difluorobenzamide
CID 33078367
N-(2-aminocycloheptyl)-2-fluoro-4-methoxybenzamide
CID 102883992
2-fluoro-N,N-bis(2-hydroxyethyl)-4-methoxybenzamide
CID 103604552

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-[(2-fluoro-4-methoxybenzoyl)-methylamino]cyclohexyl]-4-methoxy-N-methylbenzamide?
The IUPAC name of 2-fluoro-N-[2-[(2-fluoro-4-methoxybenzoyl)-methylamino]cyclohexyl]-4-methoxy-N-methylbenzamide (CID 166182143) is 2-fluoro-N-[2-[(2-fluoro-4-methoxybenzoyl)-methylamino]cyclohexyl]-4-methoxy-N-methylbenzamide.
What is the SMILES notation for 2-fluoro-N-[2-[(2-fluoro-4-methoxybenzoyl)-methylamino]cyclohexyl]-4-methoxy-N-methylbenzamide?
The canonical SMILES for 2-fluoro-N-[2-[(2-fluoro-4-methoxybenzoyl)-methylamino]cyclohexyl]-4-methoxy-N-methylbenzamide is COc1ccc(C(=O)N(C)C2CCCCC2N(C)C(=O)c2ccc(OC)cc2F)c(F)c1.
What is the InChIKey of 2-fluoro-N-[2-[(2-fluoro-4-methoxybenzoyl)-methylamino]cyclohexyl]-4-methoxy-N-methylbenzamide?
The InChIKey is GYZIHOPSLLOGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F2N2O4/c1-27(23(29)17-11-9-15(31-3)13-19(17)25)21-7-5-6-8-22(21)28(2)24(30)18-12-10-16(32-4)14-20(18)26/h9-14,21-22H,5-8H2,1-4H3.
What are the key properties of 2-fluoro-N-[2-[(2-fluoro-4-methoxybenzoyl)-methylamino]cyclohexyl]-4-methoxy-N-methylbenzamide?
2-fluoro-N-[2-[(2-fluoro-4-methoxybenzoyl)-methylamino]cyclohexyl]-4-methoxy-N-methylbenzamide has a molecular weight of 446.49 g/mol, XLogP of 4.14, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-[(2-fluoro-4-methoxybenzoyl)-methylamino]cyclohexyl]-4-methoxy-N-methylbenzamide is sourced from PubChem (CID 166182143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).