4-N-(4-aminocyclohexyl)benzene-1,4-dicarboxamide;hydrochloride

C14H20ClN3O2 — CID 119478160

IUPAC4-N-(4-aminocyclohexyl)benzene-1,4-dicarboxamide;hydrochloride
SMILESCl.NC(=O)c1ccc(C(=O)NC2CCC(N)CC2)cc1
InChIInChI=1S/C14H19N3O2.ClH/c15-11-5-7-12(8-6-11)17-14(19)10-3-1-9(2-4-10)13(16)18;/h1-4,11-12H,5-8,15H2,(H2,16,18)(H,17,19);1H
InChIKeyXQWTYWSIKQRDSX-UHFFFAOYSA-N
MW297.79 g/mol
LogP1.21
Rot. Bonds3

About 4-N-(4-aminocyclohexyl)benzene-1,4-dicarboxamide;hydrochloride

4-N-(4-aminocyclohexyl)benzene-1,4-dicarboxamide;hydrochloride (PubChem CID 119478160) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is 4-N-(4-aminocyclohexyl)benzene-1,4-dicarboxamide;hydrochloride.

Molecular Properties

Compound Name4-N-(4-aminocyclohexyl)benzene-1,4-dicarboxamide;hydrochloride
PubChem CID119478160
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC Name4-N-(4-aminocyclohexyl)benzene-1,4-dicarboxamide;hydrochloride
SMILESCl.NC(=O)c1ccc(C(=O)NC2CCC(N)CC2)cc1
InChIInChI=1S/C14H19N3O2.ClH/c15-11-5-7-12(8-6-11)17-14(19)10-3-1-9(2-4-10)13(16)18;/h1-4,11-12H,5-8,15H2,(H2,16,18)(H,17,19);1H
InChIKeyXQWTYWSIKQRDSX-UHFFFAOYSA-N
XLogP1.21
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-aminocyclohexyl)-4-chlorobenzamide;hydrochloride
CID 86277368
N-(4-aminocyclohexyl)-4-(bromomethyl)benzamide
CID 102851590
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CID 119478238
N-(4-aminocyclohexyl)-6-oxopyran-3-carboxamide
CID 79113506
N-(4-aminocyclohexyl)-3-hydroxy-4-methylbenzamide
CID 43653129
N-(4-aminocyclohexyl)-4-(3,4,5-trifluorophenyl)benzamide
CID 119479149
N-(4-aminocyclohexyl)-1,3-benzodioxole-5-carboxamide;hydrochloride
CID 71643856
N-(4-aminocyclohexyl)pyridazine-4-carboxamide
CID 104670019
N-(4-aminocyclohexyl)-3-bromobenzamide;hydrochloride
CID 86277418
N-(4-aminocyclohexyl)-3-iodobenzamide;hydrochloride
CID 119474943
2-N-(4-aminocyclohexyl)thiophene-2,4-dicarboxamide
CID 119477780
N-(4-aminocyclohexyl)-3-methoxy-4-methylbenzamide;hydrochloride
CID 119474495

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-aminocyclohexyl)benzene-1,4-dicarboxamide;hydrochloride?
The IUPAC name of 4-N-(4-aminocyclohexyl)benzene-1,4-dicarboxamide;hydrochloride (CID 119478160) is 4-N-(4-aminocyclohexyl)benzene-1,4-dicarboxamide;hydrochloride.
What is the SMILES notation for 4-N-(4-aminocyclohexyl)benzene-1,4-dicarboxamide;hydrochloride?
The canonical SMILES for 4-N-(4-aminocyclohexyl)benzene-1,4-dicarboxamide;hydrochloride is Cl.NC(=O)c1ccc(C(=O)NC2CCC(N)CC2)cc1.
What is the InChIKey of 4-N-(4-aminocyclohexyl)benzene-1,4-dicarboxamide;hydrochloride?
The InChIKey is XQWTYWSIKQRDSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2.ClH/c15-11-5-7-12(8-6-11)17-14(19)10-3-1-9(2-4-10)13(16)18;/h1-4,11-12H,5-8,15H2,(H2,16,18)(H,17,19);1H.
What are the key properties of 4-N-(4-aminocyclohexyl)benzene-1,4-dicarboxamide;hydrochloride?
4-N-(4-aminocyclohexyl)benzene-1,4-dicarboxamide;hydrochloride has a molecular weight of 297.79 g/mol, XLogP of 1.21, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-aminocyclohexyl)benzene-1,4-dicarboxamide;hydrochloride is sourced from PubChem (CID 119478160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).