3-amino-N-(3-bromo-5-chloro-2-ethoxyphenyl)cyclohexane-1-carboxamide

C15H20BrClN2O2 — CID 63043774

IUPAC3-amino-N-(3-bromo-5-chloro-2-ethoxyphenyl)cyclohexane-1-carboxamide
SMILESCCOc1c(Br)cc(Cl)cc1NC(=O)C1CCCC(N)C1
InChIInChI=1S/C15H20BrClN2O2/c1-2-21-14-12(16)7-10(17)8-13(14)19-15(20)9-4-3-5-11(18)6-9/h7-9,11H,2-6,18H2,1H3,(H,19,20)
InChIKeyASLDCIMKYJSOOJ-UHFFFAOYSA-N
MW375.69 g/mol
LogP3.96
Rot. Bonds4

About 3-amino-N-(3-bromo-5-chloro-2-ethoxyphenyl)cyclohexane-1-carboxamide

3-amino-N-(3-bromo-5-chloro-2-ethoxyphenyl)cyclohexane-1-carboxamide (PubChem CID 63043774) has the molecular formula C15H20BrClN2O2 and a molecular weight of 375.69 g/mol. Its IUPAC name is 3-amino-N-(3-bromo-5-chloro-2-ethoxyphenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-(3-bromo-5-chloro-2-ethoxyphenyl)cyclohexane-1-carboxamide
PubChem CID63043774
Molecular FormulaC15H20BrClN2O2
Molecular Weight375.69 g/mol
Exact Mass374.04
IUPAC Name3-amino-N-(3-bromo-5-chloro-2-ethoxyphenyl)cyclohexane-1-carboxamide
SMILESCCOc1c(Br)cc(Cl)cc1NC(=O)C1CCCC(N)C1
InChIInChI=1S/C15H20BrClN2O2/c1-2-21-14-12(16)7-10(17)8-13(14)19-15(20)9-4-3-5-11(18)6-9/h7-9,11H,2-6,18H2,1H3,(H,19,20)
InChIKeyASLDCIMKYJSOOJ-UHFFFAOYSA-N
XLogP3.96
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.69
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(2-bromo-4,5-diethoxyphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119745061
3-amino-N-(5-chloro-2-propoxyphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119725658
3-amino-N-[5-chloro-2-(2-ethoxyethoxy)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119773171
N-(3-bromo-5-chloro-2-ethoxyphenyl)-4-methylpyrrolidine-3-carboxamide
CID 63714766
3-bromo-5-chloro-N-(cyclopropylmethyl)-2-ethoxyaniline
CID 43690788
3-amino-N-(2,4,6-trichlorophenyl)cyclohexane-1-carboxamide
CID 63042160
N-(3-bromo-5-chloro-2-ethoxyphenyl)-5-oxopiperazine-2-carboxamide
CID 107434312
2-[(3-aminocyclohexanecarbonyl)amino]-4-chlorobenzoic acid
CID 63046093
N-(3-bromo-5-chloro-2-ethoxyphenyl)-2-chlorobenzamide
CID 30208430
N-(3-bromo-5-chloro-2-ethoxyphenyl)cycloheptanamine
CID 43690709
N-(3-bromo-5-chloro-2-ethoxyphenyl)but-2-enamide
CID 112725225
3-amino-N-(3-ethoxyphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119708471

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-bromo-5-chloro-2-ethoxyphenyl)cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-(3-bromo-5-chloro-2-ethoxyphenyl)cyclohexane-1-carboxamide (CID 63043774) is 3-amino-N-(3-bromo-5-chloro-2-ethoxyphenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-(3-bromo-5-chloro-2-ethoxyphenyl)cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-(3-bromo-5-chloro-2-ethoxyphenyl)cyclohexane-1-carboxamide is CCOc1c(Br)cc(Cl)cc1NC(=O)C1CCCC(N)C1.
What is the InChIKey of 3-amino-N-(3-bromo-5-chloro-2-ethoxyphenyl)cyclohexane-1-carboxamide?
The InChIKey is ASLDCIMKYJSOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrClN2O2/c1-2-21-14-12(16)7-10(17)8-13(14)19-15(20)9-4-3-5-11(18)6-9/h7-9,11H,2-6,18H2,1H3,(H,19,20).
What are the key properties of 3-amino-N-(3-bromo-5-chloro-2-ethoxyphenyl)cyclohexane-1-carboxamide?
3-amino-N-(3-bromo-5-chloro-2-ethoxyphenyl)cyclohexane-1-carboxamide has a molecular weight of 375.69 g/mol, XLogP of 3.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-bromo-5-chloro-2-ethoxyphenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 63043774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).