3-amino-4-chloro-N-(3,3,5,5-tetramethylcyclohexyl)benzamide

C17H25ClN2O — CID 103965109

IUPAC3-amino-4-chloro-N-(3,3,5,5-tetramethylcyclohexyl)benzamide
SMILESCC1(C)CC(NC(=O)c2ccc(Cl)c(N)c2)CC(C)(C)C1
InChIInChI=1S/C17H25ClN2O/c1-16(2)8-12(9-17(3,4)10-16)20-15(21)11-5-6-13(18)14(19)7-11/h5-7,12H,8-10,19H2,1-4H3,(H,20,21)
InChIKeyIHVUXZSFHWQDCR-UHFFFAOYSA-N
MW308.85 g/mol
LogP4.26
Rot. Bonds2

About 3-amino-4-chloro-N-(3,3,5,5-tetramethylcyclohexyl)benzamide

3-amino-4-chloro-N-(3,3,5,5-tetramethylcyclohexyl)benzamide (PubChem CID 103965109) has the molecular formula C17H25ClN2O and a molecular weight of 308.85 g/mol. Its IUPAC name is 3-amino-4-chloro-N-(3,3,5,5-tetramethylcyclohexyl)benzamide.

Molecular Properties

Compound Name3-amino-4-chloro-N-(3,3,5,5-tetramethylcyclohexyl)benzamide
PubChem CID103965109
Molecular FormulaC17H25ClN2O
Molecular Weight308.85 g/mol
Exact Mass308.17
IUPAC Name3-amino-4-chloro-N-(3,3,5,5-tetramethylcyclohexyl)benzamide
SMILESCC1(C)CC(NC(=O)c2ccc(Cl)c(N)c2)CC(C)(C)C1
InChIInChI=1S/C17H25ClN2O/c1-16(2)8-12(9-17(3,4)10-16)20-15(21)11-5-6-13(18)14(19)7-11/h5-7,12H,8-10,19H2,1-4H3,(H,20,21)
InChIKeyIHVUXZSFHWQDCR-UHFFFAOYSA-N
XLogP4.26
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.85
LogP ≤ 54.26
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

4-hydroxy-3-methyl-N-(3,3,5,5-tetramethylcyclohexyl)benzamide
CID 107676803
3-amino-4-chloro-N-(2,2-dimethylcyclopentyl)benzamide
CID 79855162
2-amino-3-chloro-N-(3,3,5,5-tetramethylcyclohexyl)benzamide
CID 103965097
4-fluoro-3-sulfanyl-N-(3,3,5,5-tetramethylcyclohexyl)benzamide
CID 107034256
3-amino-N-(3,3-dimethylcyclopentyl)-4-methylbenzamide
CID 114542653
3-amino-5-bromo-N-(3,3,5,5-tetramethylcyclohexyl)benzamide
CID 103965099
3-[(3-amino-4-chlorobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 63042958
4-(bromomethyl)-N-(3,3,5,5-tetramethylcyclohexyl)benzamide
CID 102852021
3-amino-4-chloro-N-(1-ethylpiperidin-3-yl)benzamide
CID 61170156
4-amino-3-chloro-N-(3,5-dimethylcyclohexyl)benzamide
CID 64733696
3-amino-4-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 94413683
5-chloro-2-fluoro-N-(3,3,5,5-tetramethylcyclohexyl)benzamide
CID 103966065

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-chloro-N-(3,3,5,5-tetramethylcyclohexyl)benzamide?
The IUPAC name of 3-amino-4-chloro-N-(3,3,5,5-tetramethylcyclohexyl)benzamide (CID 103965109) is 3-amino-4-chloro-N-(3,3,5,5-tetramethylcyclohexyl)benzamide.
What is the SMILES notation for 3-amino-4-chloro-N-(3,3,5,5-tetramethylcyclohexyl)benzamide?
The canonical SMILES for 3-amino-4-chloro-N-(3,3,5,5-tetramethylcyclohexyl)benzamide is CC1(C)CC(NC(=O)c2ccc(Cl)c(N)c2)CC(C)(C)C1.
What is the InChIKey of 3-amino-4-chloro-N-(3,3,5,5-tetramethylcyclohexyl)benzamide?
The InChIKey is IHVUXZSFHWQDCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O/c1-16(2)8-12(9-17(3,4)10-16)20-15(21)11-5-6-13(18)14(19)7-11/h5-7,12H,8-10,19H2,1-4H3,(H,20,21).
What are the key properties of 3-amino-4-chloro-N-(3,3,5,5-tetramethylcyclohexyl)benzamide?
3-amino-4-chloro-N-(3,3,5,5-tetramethylcyclohexyl)benzamide has a molecular weight of 308.85 g/mol, XLogP of 4.26, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-chloro-N-(3,3,5,5-tetramethylcyclohexyl)benzamide is sourced from PubChem (CID 103965109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).