N-(4-aminocyclohexyl)-4-chloro-3-fluoro-N-methylbenzamide

C14H18ClFN2O — CID 107990590

IUPACN-(4-aminocyclohexyl)-4-chloro-3-fluoro-N-methylbenzamide
SMILESCN(C(=O)c1ccc(Cl)c(F)c1)C1CCC(N)CC1
InChIInChI=1S/C14H18ClFN2O/c1-18(11-5-3-10(17)4-6-11)14(19)9-2-7-12(15)13(16)8-9/h2,7-8,10-11H,3-6,17H2,1H3
InChIKeyPJDXZKOLZSKHSS-UHFFFAOYSA-N
MW284.76 g/mol
LogP2.82
Rot. Bonds2

About N-(4-aminocyclohexyl)-4-chloro-3-fluoro-N-methylbenzamide

N-(4-aminocyclohexyl)-4-chloro-3-fluoro-N-methylbenzamide (PubChem CID 107990590) has the molecular formula C14H18ClFN2O and a molecular weight of 284.76 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-4-chloro-3-fluoro-N-methylbenzamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-4-chloro-3-fluoro-N-methylbenzamide
PubChem CID107990590
Molecular FormulaC14H18ClFN2O
Molecular Weight284.76 g/mol
Exact Mass284.11
IUPAC NameN-(4-aminocyclohexyl)-4-chloro-3-fluoro-N-methylbenzamide
SMILESCN(C(=O)c1ccc(Cl)c(F)c1)C1CCC(N)CC1
InChIInChI=1S/C14H18ClFN2O/c1-18(11-5-3-10(17)4-6-11)14(19)9-2-7-12(15)13(16)8-9/h2,7-8,10-11H,3-6,17H2,1H3
InChIKeyPJDXZKOLZSKHSS-UHFFFAOYSA-N
XLogP2.82
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.76
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-aminocyclohexyl)-3,4-difluoro-N-methylbenzamide
CID 79121547
4-chloro-3-fluoro-N-methyl-N-piperidin-4-ylbenzamide
CID 107990085
N-(4-aminocyclohexyl)-4-chloro-N-methylbenzamide
CID 79121715
N-(4-aminocyclohexyl)-4-hydroxy-N-methylbenzamide
CID 79121540
N-(4-aminocyclohexyl)-4-hydroxy-N,3-dimethylbenzamide
CID 107672162
N-(4-aminocyclohexyl)-N,3-dimethylbenzamide
CID 79121288
N-(4-aminocyclohexyl)-N-methyl-3-(trifluoromethyl)benzamide
CID 79114417
3-amino-N-cyclobutyl-4-fluoro-N-methylbenzamide
CID 115739588
N-cyclopropyl-3-fluoro-N-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
CID 176730240
3-amino-4-chloro-N-methyl-N-(oxan-4-yl)benzamide
CID 43610598
3-chloro-N-cyclobutyl-4-iodo-N-methylbenzamide
CID 103737051
N-(4-aminocyclohexyl)-N-methyl-6-oxo-1H-pyridine-3-carboxamide
CID 79121804

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-4-chloro-3-fluoro-N-methylbenzamide?
The IUPAC name of N-(4-aminocyclohexyl)-4-chloro-3-fluoro-N-methylbenzamide (CID 107990590) is N-(4-aminocyclohexyl)-4-chloro-3-fluoro-N-methylbenzamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-4-chloro-3-fluoro-N-methylbenzamide?
The canonical SMILES for N-(4-aminocyclohexyl)-4-chloro-3-fluoro-N-methylbenzamide is CN(C(=O)c1ccc(Cl)c(F)c1)C1CCC(N)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-4-chloro-3-fluoro-N-methylbenzamide?
The InChIKey is PJDXZKOLZSKHSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClFN2O/c1-18(11-5-3-10(17)4-6-11)14(19)9-2-7-12(15)13(16)8-9/h2,7-8,10-11H,3-6,17H2,1H3.
What are the key properties of N-(4-aminocyclohexyl)-4-chloro-3-fluoro-N-methylbenzamide?
N-(4-aminocyclohexyl)-4-chloro-3-fluoro-N-methylbenzamide has a molecular weight of 284.76 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-4-chloro-3-fluoro-N-methylbenzamide is sourced from PubChem (CID 107990590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).