1-amino-N-(6-chloro-1,3-benzodioxol-5-yl)cyclohexane-1-carboxamide

C14H17ClN2O3 — CID 43703610

IUPAC1-amino-N-(6-chloro-1,3-benzodioxol-5-yl)cyclohexane-1-carboxamide
SMILESNC1(C(=O)Nc2cc3c(cc2Cl)OCO3)CCCCC1
InChIInChI=1S/C14H17ClN2O3/c15-9-6-11-12(20-8-19-11)7-10(9)17-13(18)14(16)4-2-1-3-5-14/h6-7H,1-5,8,16H2,(H,17,18)
InChIKeyTWUDVKHEAAUFFA-UHFFFAOYSA-N
MW296.75 g/mol
LogP2.67
Rot. Bonds2

About 1-amino-N-(6-chloro-1,3-benzodioxol-5-yl)cyclohexane-1-carboxamide

1-amino-N-(6-chloro-1,3-benzodioxol-5-yl)cyclohexane-1-carboxamide (PubChem CID 43703610) has the molecular formula C14H17ClN2O3 and a molecular weight of 296.75 g/mol. Its IUPAC name is 1-amino-N-(6-chloro-1,3-benzodioxol-5-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(6-chloro-1,3-benzodioxol-5-yl)cyclohexane-1-carboxamide
PubChem CID43703610
Molecular FormulaC14H17ClN2O3
Molecular Weight296.75 g/mol
Exact Mass296.09
IUPAC Name1-amino-N-(6-chloro-1,3-benzodioxol-5-yl)cyclohexane-1-carboxamide
SMILESNC1(C(=O)Nc2cc3c(cc2Cl)OCO3)CCCCC1
InChIInChI=1S/C14H17ClN2O3/c15-9-6-11-12(20-8-19-11)7-10(9)17-13(18)14(16)4-2-1-3-5-14/h6-7H,1-5,8,16H2,(H,17,18)
InChIKeyTWUDVKHEAAUFFA-UHFFFAOYSA-N
XLogP2.67
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.75
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-(2,4,5-trichlorophenyl)cyclohexane-1-carboxamide
CID 29300214
1-amino-N-(2,4,5-trichlorophenyl)cyclobutane-1-carboxamide
CID 81167511
N-(6-chloro-1,3-benzodioxol-5-yl)-3-methylpyrrolidine-3-carboxamide
CID 55164754
1-amino-N-(5-bromo-2-chlorophenyl)cyclohexane-1-carboxamide
CID 55131672
2-(4-aminophenyl)-N-(6-chloro-1,3-benzodioxol-5-yl)acetamide
CID 43703608
1-amino-N-(1,3-benzodioxol-5-ylmethyl)cyclohexane-1-carboxamide
CID 39058403
N-(6-chloro-1,3-benzodioxol-5-yl)-2,2-dimethylpropanamide
CID 60699580
N-(6-chloro-1,3-benzodioxol-5-yl)prop-2-enamide
CID 43616646
3-[(6-chloro-1,3-benzodioxol-5-yl)amino]-3-oxopropanoic acid
CID 62231463
1-amino-N-(2,6-dichloro-4-fluorophenyl)cyclohexane-1-carboxamide
CID 83079201
1-amino-N-(3,5-dichloro-4-fluorophenyl)cyclohexane-1-carboxamide
CID 107574452
1-amino-N-(5-chloro-2-fluorophenyl)cyclopentane-1-carboxamide
CID 54925189

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(6-chloro-1,3-benzodioxol-5-yl)cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-(6-chloro-1,3-benzodioxol-5-yl)cyclohexane-1-carboxamide (CID 43703610) is 1-amino-N-(6-chloro-1,3-benzodioxol-5-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(6-chloro-1,3-benzodioxol-5-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-(6-chloro-1,3-benzodioxol-5-yl)cyclohexane-1-carboxamide is NC1(C(=O)Nc2cc3c(cc2Cl)OCO3)CCCCC1.
What is the InChIKey of 1-amino-N-(6-chloro-1,3-benzodioxol-5-yl)cyclohexane-1-carboxamide?
The InChIKey is TWUDVKHEAAUFFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O3/c15-9-6-11-12(20-8-19-11)7-10(9)17-13(18)14(16)4-2-1-3-5-14/h6-7H,1-5,8,16H2,(H,17,18).
What are the key properties of 1-amino-N-(6-chloro-1,3-benzodioxol-5-yl)cyclohexane-1-carboxamide?
1-amino-N-(6-chloro-1,3-benzodioxol-5-yl)cyclohexane-1-carboxamide has a molecular weight of 296.75 g/mol, XLogP of 2.67, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(6-chloro-1,3-benzodioxol-5-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 43703610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).