N-(4-amino-3,5-dichlorophenyl)-2-(1-hydroxycyclohexyl)acetamide

C14H18Cl2N2O2 — CID 111331957

IUPACN-(4-amino-3,5-dichlorophenyl)-2-(1-hydroxycyclohexyl)acetamide
SMILESNc1c(Cl)cc(NC(=O)CC2(O)CCCCC2)cc1Cl
InChIInChI=1S/C14H18Cl2N2O2/c15-10-6-9(7-11(16)13(10)17)18-12(19)8-14(20)4-2-1-3-5-14/h6-7,20H,1-5,8,17H2,(H,18,19)
InChIKeyITGLQVZZYCUZRS-UHFFFAOYSA-N
MW317.22 g/mol
LogP3.60
Rot. Bonds3

About N-(4-amino-3,5-dichlorophenyl)-2-(1-hydroxycyclohexyl)acetamide

N-(4-amino-3,5-dichlorophenyl)-2-(1-hydroxycyclohexyl)acetamide (PubChem CID 111331957) has the molecular formula C14H18Cl2N2O2 and a molecular weight of 317.22 g/mol. Its IUPAC name is N-(4-amino-3,5-dichlorophenyl)-2-(1-hydroxycyclohexyl)acetamide.

Molecular Properties

Compound NameN-(4-amino-3,5-dichlorophenyl)-2-(1-hydroxycyclohexyl)acetamide
PubChem CID111331957
Molecular FormulaC14H18Cl2N2O2
Molecular Weight317.22 g/mol
Exact Mass316.07
IUPAC NameN-(4-amino-3,5-dichlorophenyl)-2-(1-hydroxycyclohexyl)acetamide
SMILESNc1c(Cl)cc(NC(=O)CC2(O)CCCCC2)cc1Cl
InChIInChI=1S/C14H18Cl2N2O2/c15-10-6-9(7-11(16)13(10)17)18-12(19)8-14(20)4-2-1-3-5-14/h6-7,20H,1-5,8,17H2,(H,18,19)
InChIKeyITGLQVZZYCUZRS-UHFFFAOYSA-N
XLogP3.60
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.22
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3,5-dichlorophenyl)-2-(1-hydroxycyclohexyl)acetamide?
The IUPAC name of N-(4-amino-3,5-dichlorophenyl)-2-(1-hydroxycyclohexyl)acetamide (CID 111331957) is N-(4-amino-3,5-dichlorophenyl)-2-(1-hydroxycyclohexyl)acetamide.
What is the SMILES notation for N-(4-amino-3,5-dichlorophenyl)-2-(1-hydroxycyclohexyl)acetamide?
The canonical SMILES for N-(4-amino-3,5-dichlorophenyl)-2-(1-hydroxycyclohexyl)acetamide is Nc1c(Cl)cc(NC(=O)CC2(O)CCCCC2)cc1Cl.
What is the InChIKey of N-(4-amino-3,5-dichlorophenyl)-2-(1-hydroxycyclohexyl)acetamide?
The InChIKey is ITGLQVZZYCUZRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O2/c15-10-6-9(7-11(16)13(10)17)18-12(19)8-14(20)4-2-1-3-5-14/h6-7,20H,1-5,8,17H2,(H,18,19).
What are the key properties of N-(4-amino-3,5-dichlorophenyl)-2-(1-hydroxycyclohexyl)acetamide?
N-(4-amino-3,5-dichlorophenyl)-2-(1-hydroxycyclohexyl)acetamide has a molecular weight of 317.22 g/mol, XLogP of 3.60, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3,5-dichlorophenyl)-2-(1-hydroxycyclohexyl)acetamide is sourced from PubChem (CID 111331957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).