N-[1-(aminomethyl)-2-methylcyclohexyl]-2-chloro-4-fluorobenzamide

C15H20ClFN2O — CID 115308550

IUPACN-[1-(aminomethyl)-2-methylcyclohexyl]-2-chloro-4-fluorobenzamide
SMILESCC1CCCCC1(CN)NC(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C15H20ClFN2O/c1-10-4-2-3-7-15(10,9-18)19-14(20)12-6-5-11(17)8-13(12)16/h5-6,8,10H,2-4,7,9,18H2,1H3,(H,19,20)
InChIKeyHEKKWVFIWZICID-UHFFFAOYSA-N
MW298.79 g/mol
LogP3.12
Rot. Bonds3

About N-[1-(aminomethyl)-2-methylcyclohexyl]-2-chloro-4-fluorobenzamide

N-[1-(aminomethyl)-2-methylcyclohexyl]-2-chloro-4-fluorobenzamide (PubChem CID 115308550) has the molecular formula C15H20ClFN2O and a molecular weight of 298.79 g/mol. Its IUPAC name is N-[1-(aminomethyl)-2-methylcyclohexyl]-2-chloro-4-fluorobenzamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)-2-methylcyclohexyl]-2-chloro-4-fluorobenzamide
PubChem CID115308550
Molecular FormulaC15H20ClFN2O
Molecular Weight298.79 g/mol
Exact Mass298.12
IUPAC NameN-[1-(aminomethyl)-2-methylcyclohexyl]-2-chloro-4-fluorobenzamide
SMILESCC1CCCCC1(CN)NC(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C15H20ClFN2O/c1-10-4-2-3-7-15(10,9-18)19-14(20)12-6-5-11(17)8-13(12)16/h5-6,8,10H,2-4,7,9,18H2,1H3,(H,19,20)
InChIKeyHEKKWVFIWZICID-UHFFFAOYSA-N
XLogP3.12
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.79
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(aminomethyl)-2-methylcyclohexyl]-2,4-dichlorobenzamide
CID 115308512
N-[1-(aminomethyl)-2-methylcyclohexyl]-2-chloro-5-methylsulfanylbenzamide
CID 115308437
N-[1-(aminomethyl)-2-methylcyclohexyl]-4-chloro-2-hydroxybenzamide
CID 115308656
N-[1-(aminomethyl)-2-methylcyclohexyl]-3,4-dichlorobenzamide
CID 115308514
N-[1-(aminomethyl)-2-methylcyclohexyl]-3-chloro-2-methylbenzamide
CID 107098315
N-[1-(aminomethyl)-2-methylcyclohexyl]-2-hydroxy-5-iodobenzamide
CID 107732198
2-[[1-(aminomethyl)-2-methylcyclohexyl]amino]-5-fluorobenzamide
CID 115308919
N-[1-(aminomethyl)-2-methylcyclohexyl]-4-methylthiophene-3-carboxamide
CID 115308378
N-[1-(bromomethyl)-4-methylcyclohexyl]-2-chloro-4-fluorobenzamide
CID 114314847
2-chloro-4-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide
CID 62520565
N-[1-(aminomethyl)-2-methylcyclohexyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 115308618
N-[1-(aminomethyl)-2-methylcyclohexyl]-5-bromothiophene-3-carboxamide
CID 107963717

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-2-methylcyclohexyl]-2-chloro-4-fluorobenzamide?
The IUPAC name of N-[1-(aminomethyl)-2-methylcyclohexyl]-2-chloro-4-fluorobenzamide (CID 115308550) is N-[1-(aminomethyl)-2-methylcyclohexyl]-2-chloro-4-fluorobenzamide.
What is the SMILES notation for N-[1-(aminomethyl)-2-methylcyclohexyl]-2-chloro-4-fluorobenzamide?
The canonical SMILES for N-[1-(aminomethyl)-2-methylcyclohexyl]-2-chloro-4-fluorobenzamide is CC1CCCCC1(CN)NC(=O)c1ccc(F)cc1Cl.
What is the InChIKey of N-[1-(aminomethyl)-2-methylcyclohexyl]-2-chloro-4-fluorobenzamide?
The InChIKey is HEKKWVFIWZICID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClFN2O/c1-10-4-2-3-7-15(10,9-18)19-14(20)12-6-5-11(17)8-13(12)16/h5-6,8,10H,2-4,7,9,18H2,1H3,(H,19,20).
What are the key properties of N-[1-(aminomethyl)-2-methylcyclohexyl]-2-chloro-4-fluorobenzamide?
N-[1-(aminomethyl)-2-methylcyclohexyl]-2-chloro-4-fluorobenzamide has a molecular weight of 298.79 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-2-methylcyclohexyl]-2-chloro-4-fluorobenzamide is sourced from PubChem (CID 115308550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).