N-(4-aminocyclohexyl)-2-fluoro-4-(2-fluoro-4-methoxyphenyl)benzamide

C20H22F2N2O2 — CID 119476668

IUPACN-(4-aminocyclohexyl)-2-fluoro-4-(2-fluoro-4-methoxyphenyl)benzamide
SMILESCOc1ccc(-c2ccc(C(=O)NC3CCC(N)CC3)c(F)c2)c(F)c1
InChIInChI=1S/C20H22F2N2O2/c1-26-15-7-9-16(19(22)11-15)12-2-8-17(18(21)10-12)20(25)24-14-5-3-13(23)4-6-14/h2,7-11,13-14H,3-6,23H2,1H3,(H,24,25)
InChIKeyGJPJBQBWUUNLIA-UHFFFAOYSA-N
MW360.40 g/mol
LogP3.64
Rot. Bonds4

About N-(4-aminocyclohexyl)-2-fluoro-4-(2-fluoro-4-methoxyphenyl)benzamide

N-(4-aminocyclohexyl)-2-fluoro-4-(2-fluoro-4-methoxyphenyl)benzamide (PubChem CID 119476668) has the molecular formula C20H22F2N2O2 and a molecular weight of 360.40 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-2-fluoro-4-(2-fluoro-4-methoxyphenyl)benzamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-2-fluoro-4-(2-fluoro-4-methoxyphenyl)benzamide
PubChem CID119476668
Molecular FormulaC20H22F2N2O2
Molecular Weight360.40 g/mol
Exact Mass360.16
IUPAC NameN-(4-aminocyclohexyl)-2-fluoro-4-(2-fluoro-4-methoxyphenyl)benzamide
SMILESCOc1ccc(-c2ccc(C(=O)NC3CCC(N)CC3)c(F)c2)c(F)c1
InChIInChI=1S/C20H22F2N2O2/c1-26-15-7-9-16(19(22)11-15)12-2-8-17(18(21)10-12)20(25)24-14-5-3-13(23)4-6-14/h2,7-11,13-14H,3-6,23H2,1H3,(H,24,25)
InChIKeyGJPJBQBWUUNLIA-UHFFFAOYSA-N
XLogP3.64
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.40
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromocyclohexyl)-2-fluoro-4-methoxybenzamide
CID 102885227
N-(4-aminocyclohexyl)-2-fluoro-4-(4-fluorophenyl)benzamide;hydrochloride
CID 119475380
N-(1-amino-2-methylpropan-2-yl)-2-fluoro-4-(2-fluoro-4-methoxyphenyl)benzamide;hydrochloride
CID 119523159
N-(2-aminocyclopropyl)-2-fluoro-4-methoxybenzamide
CID 103804989
2-fluoro-4-methoxy-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 103603318
N-(4-aminocyclohexyl)-4-chloro-2-fluorobenzamide
CID 62313125
N-(4-aminocyclohexyl)-4-bromo-2-fluorobenzamide
CID 55062535
(4-amino-3,3-dimethylpiperidin-1-yl)-[2-fluoro-4-(2-fluoro-4-methoxyphenyl)phenyl]methanone
CID 120815659
N-(2-aminocycloheptyl)-2-fluoro-4-methoxybenzamide
CID 102883992
2-fluoro-4-methoxy-N-(1-propylpiperidin-4-yl)benzamide
CID 103603316
N-cyclopropyl-2,4-dimethoxybenzamide
CID 4576292
(3-aminocyclopentyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 103397145

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-2-fluoro-4-(2-fluoro-4-methoxyphenyl)benzamide?
The IUPAC name of N-(4-aminocyclohexyl)-2-fluoro-4-(2-fluoro-4-methoxyphenyl)benzamide (CID 119476668) is N-(4-aminocyclohexyl)-2-fluoro-4-(2-fluoro-4-methoxyphenyl)benzamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-2-fluoro-4-(2-fluoro-4-methoxyphenyl)benzamide?
The canonical SMILES for N-(4-aminocyclohexyl)-2-fluoro-4-(2-fluoro-4-methoxyphenyl)benzamide is COc1ccc(-c2ccc(C(=O)NC3CCC(N)CC3)c(F)c2)c(F)c1.
What is the InChIKey of N-(4-aminocyclohexyl)-2-fluoro-4-(2-fluoro-4-methoxyphenyl)benzamide?
The InChIKey is GJPJBQBWUUNLIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N2O2/c1-26-15-7-9-16(19(22)11-15)12-2-8-17(18(21)10-12)20(25)24-14-5-3-13(23)4-6-14/h2,7-11,13-14H,3-6,23H2,1H3,(H,24,25).
What are the key properties of N-(4-aminocyclohexyl)-2-fluoro-4-(2-fluoro-4-methoxyphenyl)benzamide?
N-(4-aminocyclohexyl)-2-fluoro-4-(2-fluoro-4-methoxyphenyl)benzamide has a molecular weight of 360.40 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-2-fluoro-4-(2-fluoro-4-methoxyphenyl)benzamide is sourced from PubChem (CID 119476668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).