2-[2-(4-aminocyclohexyl)oxyethylamino]-4-chlorobenzamide

C15H22ClN3O2 — CID 63871527

IUPAC2-[2-(4-aminocyclohexyl)oxyethylamino]-4-chlorobenzamide
SMILESNC(=O)c1ccc(Cl)cc1NCCOC1CCC(N)CC1
InChIInChI=1S/C15H22ClN3O2/c16-10-1-6-13(15(18)20)14(9-10)19-7-8-21-12-4-2-11(17)3-5-12/h1,6,9,11-12,19H,2-5,7-8,17H2,(H2,18,20)
InChIKeyZQHVZDMZVYMQNE-UHFFFAOYSA-N
MW311.81 g/mol
LogP2.14
Rot. Bonds6

About 2-[2-(4-aminocyclohexyl)oxyethylamino]-4-chlorobenzamide

2-[2-(4-aminocyclohexyl)oxyethylamino]-4-chlorobenzamide (PubChem CID 63871527) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is 2-[2-(4-aminocyclohexyl)oxyethylamino]-4-chlorobenzamide.

Molecular Properties

Compound Name2-[2-(4-aminocyclohexyl)oxyethylamino]-4-chlorobenzamide
PubChem CID63871527
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC Name2-[2-(4-aminocyclohexyl)oxyethylamino]-4-chlorobenzamide
SMILESNC(=O)c1ccc(Cl)cc1NCCOC1CCC(N)CC1
InChIInChI=1S/C15H22ClN3O2/c16-10-1-6-13(15(18)20)14(9-10)19-7-8-21-12-4-2-11(17)3-5-12/h1,6,9,11-12,19H,2-5,7-8,17H2,(H2,18,20)
InChIKeyZQHVZDMZVYMQNE-UHFFFAOYSA-N
XLogP2.14
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(4-aminocyclohexyl)oxyethylamino]-4-methylbenzamide
CID 63870027
N-[2-(4-aminocyclohexyl)oxyethyl]-5-chloro-2-methylbenzamide
CID 82871139
2-[2-(4-aminocyclohexyl)oxyethylamino]-6-methylpyridine-3-carboxamide
CID 63871182
4-chloro-2-(2-pyrrolidin-3-ylethylamino)benzamide
CID 63623817
5-chloro-2-(3-piperidin-4-yloxypropylamino)benzamide
CID 63870017
4-(2-carbamoyl-5-chloroanilino)-2-methylbutanoic acid
CID 80539385
N-[2-(4-aminocyclohexyl)oxyethyl]-3,4-difluorobenzamide
CID 63871300
2-[3-(4-aminocyclohexyl)oxypropylamino]pyridine-3-carboxamide
CID 63869356
N-[2-(4-aminocyclohexyl)oxyethyl]-3,5-dichloropyridin-2-amine
CID 63869864
4-chloro-1-N-(2-cyclohexyloxyethyl)benzene-1,2-diamine
CID 63826034
4-(2-carbamoyl-5-chloroanilino)cyclohexane-1-carboxylic acid
CID 63082756
N-[2-(4-aminocyclohexyl)oxyethyl]-3-chloro-5-methylbenzamide
CID 81316459

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-aminocyclohexyl)oxyethylamino]-4-chlorobenzamide?
The IUPAC name of 2-[2-(4-aminocyclohexyl)oxyethylamino]-4-chlorobenzamide (CID 63871527) is 2-[2-(4-aminocyclohexyl)oxyethylamino]-4-chlorobenzamide.
What is the SMILES notation for 2-[2-(4-aminocyclohexyl)oxyethylamino]-4-chlorobenzamide?
The canonical SMILES for 2-[2-(4-aminocyclohexyl)oxyethylamino]-4-chlorobenzamide is NC(=O)c1ccc(Cl)cc1NCCOC1CCC(N)CC1.
What is the InChIKey of 2-[2-(4-aminocyclohexyl)oxyethylamino]-4-chlorobenzamide?
The InChIKey is ZQHVZDMZVYMQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O2/c16-10-1-6-13(15(18)20)14(9-10)19-7-8-21-12-4-2-11(17)3-5-12/h1,6,9,11-12,19H,2-5,7-8,17H2,(H2,18,20).
What are the key properties of 2-[2-(4-aminocyclohexyl)oxyethylamino]-4-chlorobenzamide?
2-[2-(4-aminocyclohexyl)oxyethylamino]-4-chlorobenzamide has a molecular weight of 311.81 g/mol, XLogP of 2.14, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-aminocyclohexyl)oxyethylamino]-4-chlorobenzamide is sourced from PubChem (CID 63871527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).