N-(4-aminocyclohexyl)-2-bromo-4-chloro-N-ethylbenzamide

C15H20BrClN2O — CID 107990592

IUPACN-(4-aminocyclohexyl)-2-bromo-4-chloro-N-ethylbenzamide
SMILESCCN(C(=O)c1ccc(Cl)cc1Br)C1CCC(N)CC1
InChIInChI=1S/C15H20BrClN2O/c1-2-19(12-6-4-11(18)5-7-12)15(20)13-8-3-10(17)9-14(13)16/h3,8-9,11-12H,2,4-7,18H2,1H3
InChIKeyRAQZCMLCCJQXQY-UHFFFAOYSA-N
MW359.70 g/mol
LogP3.83
Rot. Bonds3

About N-(4-aminocyclohexyl)-2-bromo-4-chloro-N-ethylbenzamide

N-(4-aminocyclohexyl)-2-bromo-4-chloro-N-ethylbenzamide (PubChem CID 107990592) has the molecular formula C15H20BrClN2O and a molecular weight of 359.70 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-2-bromo-4-chloro-N-ethylbenzamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-2-bromo-4-chloro-N-ethylbenzamide
PubChem CID107990592
Molecular FormulaC15H20BrClN2O
Molecular Weight359.70 g/mol
Exact Mass358.04
IUPAC NameN-(4-aminocyclohexyl)-2-bromo-4-chloro-N-ethylbenzamide
SMILESCCN(C(=O)c1ccc(Cl)cc1Br)C1CCC(N)CC1
InChIInChI=1S/C15H20BrClN2O/c1-2-19(12-6-4-11(18)5-7-12)15(20)13-8-3-10(17)9-14(13)16/h3,8-9,11-12H,2,4-7,18H2,1H3
InChIKeyRAQZCMLCCJQXQY-UHFFFAOYSA-N
XLogP3.83
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.70
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-2-bromo-4-chloro-N-ethylbenzamide?
The IUPAC name of N-(4-aminocyclohexyl)-2-bromo-4-chloro-N-ethylbenzamide (CID 107990592) is N-(4-aminocyclohexyl)-2-bromo-4-chloro-N-ethylbenzamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-2-bromo-4-chloro-N-ethylbenzamide?
The canonical SMILES for N-(4-aminocyclohexyl)-2-bromo-4-chloro-N-ethylbenzamide is CCN(C(=O)c1ccc(Cl)cc1Br)C1CCC(N)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-2-bromo-4-chloro-N-ethylbenzamide?
The InChIKey is RAQZCMLCCJQXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrClN2O/c1-2-19(12-6-4-11(18)5-7-12)15(20)13-8-3-10(17)9-14(13)16/h3,8-9,11-12H,2,4-7,18H2,1H3.
What are the key properties of N-(4-aminocyclohexyl)-2-bromo-4-chloro-N-ethylbenzamide?
N-(4-aminocyclohexyl)-2-bromo-4-chloro-N-ethylbenzamide has a molecular weight of 359.70 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-2-bromo-4-chloro-N-ethylbenzamide is sourced from PubChem (CID 107990592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).