4-amino-3,5-dichloro-N-(2-propan-2-ylcyclohexyl)benzamide

C16H22Cl2N2O — CID 82813808

IUPAC4-amino-3,5-dichloro-N-(2-propan-2-ylcyclohexyl)benzamide
SMILESCC(C)C1CCCCC1NC(=O)c1cc(Cl)c(N)c(Cl)c1
InChIInChI=1S/C16H22Cl2N2O/c1-9(2)11-5-3-4-6-14(11)20-16(21)10-7-12(17)15(19)13(18)8-10/h7-9,11,14H,3-6,19H2,1-2H3,(H,20,21)
InChIKeyWPWCCGPUUSWRGP-UHFFFAOYSA-N
MW329.27 g/mol
LogP4.52
Rot. Bonds3

About 4-amino-3,5-dichloro-N-(2-propan-2-ylcyclohexyl)benzamide

4-amino-3,5-dichloro-N-(2-propan-2-ylcyclohexyl)benzamide (PubChem CID 82813808) has the molecular formula C16H22Cl2N2O and a molecular weight of 329.27 g/mol. Its IUPAC name is 4-amino-3,5-dichloro-N-(2-propan-2-ylcyclohexyl)benzamide.

Molecular Properties

Compound Name4-amino-3,5-dichloro-N-(2-propan-2-ylcyclohexyl)benzamide
PubChem CID82813808
Molecular FormulaC16H22Cl2N2O
Molecular Weight329.27 g/mol
Exact Mass328.11
IUPAC Name4-amino-3,5-dichloro-N-(2-propan-2-ylcyclohexyl)benzamide
SMILESCC(C)C1CCCCC1NC(=O)c1cc(Cl)c(N)c(Cl)c1
InChIInChI=1S/C16H22Cl2N2O/c1-9(2)11-5-3-4-6-14(11)20-16(21)10-7-12(17)15(19)13(18)8-10/h7-9,11,14H,3-6,19H2,1-2H3,(H,20,21)
InChIKeyWPWCCGPUUSWRGP-UHFFFAOYSA-N
XLogP4.52
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.27
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5,6-dichloro-N-(2-propan-2-ylcyclohexyl)pyridine-3-carboxamide
CID 78926017
4-amino-2-chloro-N-(2-propan-2-ylcyclohexyl)benzamide;hydrochloride
CID 119775791
1-N,3-N,5-N-tris(2-butan-2-ylcyclohexyl)benzene-1,3,5-tricarboxamide
CID 67414309
2,6-dihydroxy-N-(2-propan-2-ylcyclohexyl)benzamide
CID 107689521
4-[(4-amino-3,5-dichlorobenzoyl)amino]oxolane-3-carboxylic acid
CID 82833163
3-amino-4,5-dichloro-N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 106358612
4-[(4-amino-3,5-dichlorobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 82811425
4-amino-3,5-dichloro-N-(thian-3-yl)benzamide
CID 115869160
3,5-diamino-N-(2-methylcyclohexyl)benzamide
CID 61090027
5-amino-3-chloro-2-[(2-propan-2-ylcyclohexyl)amino]benzamide
CID 107196453
2-fluoro-4-hydroxy-N-(2-propan-2-ylcyclohexyl)benzamide
CID 107676775
3-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]-4-methylbenzamide
CID 104956646

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,5-dichloro-N-(2-propan-2-ylcyclohexyl)benzamide?
The IUPAC name of 4-amino-3,5-dichloro-N-(2-propan-2-ylcyclohexyl)benzamide (CID 82813808) is 4-amino-3,5-dichloro-N-(2-propan-2-ylcyclohexyl)benzamide.
What is the SMILES notation for 4-amino-3,5-dichloro-N-(2-propan-2-ylcyclohexyl)benzamide?
The canonical SMILES for 4-amino-3,5-dichloro-N-(2-propan-2-ylcyclohexyl)benzamide is CC(C)C1CCCCC1NC(=O)c1cc(Cl)c(N)c(Cl)c1.
What is the InChIKey of 4-amino-3,5-dichloro-N-(2-propan-2-ylcyclohexyl)benzamide?
The InChIKey is WPWCCGPUUSWRGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Cl2N2O/c1-9(2)11-5-3-4-6-14(11)20-16(21)10-7-12(17)15(19)13(18)8-10/h7-9,11,14H,3-6,19H2,1-2H3,(H,20,21).
What are the key properties of 4-amino-3,5-dichloro-N-(2-propan-2-ylcyclohexyl)benzamide?
4-amino-3,5-dichloro-N-(2-propan-2-ylcyclohexyl)benzamide has a molecular weight of 329.27 g/mol, XLogP of 4.52, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,5-dichloro-N-(2-propan-2-ylcyclohexyl)benzamide is sourced from PubChem (CID 82813808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).