N-[1-(aminomethyl)-2-methylcyclohexyl]-3,4-dichlorobenzamide

C15H20Cl2N2O — CID 115308514

IUPACN-[1-(aminomethyl)-2-methylcyclohexyl]-3,4-dichlorobenzamide
SMILESCC1CCCCC1(CN)NC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H20Cl2N2O/c1-10-4-2-3-7-15(10,9-18)19-14(20)11-5-6-12(16)13(17)8-11/h5-6,8,10H,2-4,7,9,18H2,1H3,(H,19,20)
InChIKeyBPKIJMLMULRKBH-UHFFFAOYSA-N
MW315.24 g/mol
LogP3.63
Rot. Bonds3

About N-[1-(aminomethyl)-2-methylcyclohexyl]-3,4-dichlorobenzamide

N-[1-(aminomethyl)-2-methylcyclohexyl]-3,4-dichlorobenzamide (PubChem CID 115308514) has the molecular formula C15H20Cl2N2O and a molecular weight of 315.24 g/mol. Its IUPAC name is N-[1-(aminomethyl)-2-methylcyclohexyl]-3,4-dichlorobenzamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)-2-methylcyclohexyl]-3,4-dichlorobenzamide
PubChem CID115308514
Molecular FormulaC15H20Cl2N2O
Molecular Weight315.24 g/mol
Exact Mass314.10
IUPAC NameN-[1-(aminomethyl)-2-methylcyclohexyl]-3,4-dichlorobenzamide
SMILESCC1CCCCC1(CN)NC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H20Cl2N2O/c1-10-4-2-3-7-15(10,9-18)19-14(20)11-5-6-12(16)13(17)8-11/h5-6,8,10H,2-4,7,9,18H2,1H3,(H,19,20)
InChIKeyBPKIJMLMULRKBH-UHFFFAOYSA-N
XLogP3.63
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.24
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-2-methylcyclohexyl]-3,4-dichlorobenzamide?
The IUPAC name of N-[1-(aminomethyl)-2-methylcyclohexyl]-3,4-dichlorobenzamide (CID 115308514) is N-[1-(aminomethyl)-2-methylcyclohexyl]-3,4-dichlorobenzamide.
What is the SMILES notation for N-[1-(aminomethyl)-2-methylcyclohexyl]-3,4-dichlorobenzamide?
The canonical SMILES for N-[1-(aminomethyl)-2-methylcyclohexyl]-3,4-dichlorobenzamide is CC1CCCCC1(CN)NC(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[1-(aminomethyl)-2-methylcyclohexyl]-3,4-dichlorobenzamide?
The InChIKey is BPKIJMLMULRKBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2O/c1-10-4-2-3-7-15(10,9-18)19-14(20)11-5-6-12(16)13(17)8-11/h5-6,8,10H,2-4,7,9,18H2,1H3,(H,19,20).
What are the key properties of N-[1-(aminomethyl)-2-methylcyclohexyl]-3,4-dichlorobenzamide?
N-[1-(aminomethyl)-2-methylcyclohexyl]-3,4-dichlorobenzamide has a molecular weight of 315.24 g/mol, XLogP of 3.63, 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]-3,4-dichlorobenzamide is sourced from PubChem (CID 115308514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).