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

C17H25ClN2O — CID 103965097

IUPAC2-amino-3-chloro-N-(3,3,5,5-tetramethylcyclohexyl)benzamide
SMILESCC1(C)CC(NC(=O)c2cccc(Cl)c2N)CC(C)(C)C1
InChIInChI=1S/C17H25ClN2O/c1-16(2)8-11(9-17(3,4)10-16)20-15(21)12-6-5-7-13(18)14(12)19/h5-7,11H,8-10,19H2,1-4H3,(H,20,21)
InChIKeyPVDBEQRXNMQHMB-UHFFFAOYSA-N
MW308.85 g/mol
LogP4.26
Rot. Bonds2

About 2-amino-3-chloro-N-(3,3,5,5-tetramethylcyclohexyl)benzamide

2-amino-3-chloro-N-(3,3,5,5-tetramethylcyclohexyl)benzamide (PubChem CID 103965097) has the molecular formula C17H25ClN2O and a molecular weight of 308.85 g/mol. Its IUPAC name is 2-amino-3-chloro-N-(3,3,5,5-tetramethylcyclohexyl)benzamide.

Molecular Properties

Compound Name2-amino-3-chloro-N-(3,3,5,5-tetramethylcyclohexyl)benzamide
PubChem CID103965097
Molecular FormulaC17H25ClN2O
Molecular Weight308.85 g/mol
Exact Mass308.17
IUPAC Name2-amino-3-chloro-N-(3,3,5,5-tetramethylcyclohexyl)benzamide
SMILESCC1(C)CC(NC(=O)c2cccc(Cl)c2N)CC(C)(C)C1
InChIInChI=1S/C17H25ClN2O/c1-16(2)8-11(9-17(3,4)10-16)20-15(21)12-6-5-7-13(18)14(12)19/h5-7,11H,8-10,19H2,1-4H3,(H,20,21)
InChIKeyPVDBEQRXNMQHMB-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

2-amino-3-chloro-N-(3,3-dimethylcyclohexyl)benzamide
CID 115540906
2-amino-3-chloro-N-(3-methylcyclopentyl)benzamide
CID 114542613
2-amino-N-(3,3,5,5-tetramethylcyclohexyl)pyridine-3-carboxamide
CID 103968313
2-chloro-N-[[(1R,5S)-5-[(2-chlorobenzoyl)amino]-1,3,3-trimethylcyclohexyl]methyl]benzamide
CID 40738067
3-amino-4-chloro-N-(3,3,5,5-tetramethylcyclohexyl)benzamide
CID 103965109
2-amino-N-(1-tert-butylpiperidin-4-yl)-3-chlorobenzamide
CID 115540148
2-amino-3-chloro-N-(1-ethylpiperidin-4-yl)benzamide
CID 115540437
5-chloro-2-fluoro-N-(3,3,5,5-tetramethylcyclohexyl)benzamide
CID 103966065
2,6-dichloro-N-[[5-[(2,6-dichlorobenzoyl)amino]-1,3,3-trimethylcyclohexyl]methyl]benzamide
CID 4676998
2-amino-3-chloro-N-(2-phenylcyclopropyl)benzamide
CID 115540566
2-amino-3-chloro-N-propylbenzamide
CID 80503191
6-amino-N-(3,3,5,5-tetramethylcyclohexyl)pyridazine-3-carboxamide
CID 103968311

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-chloro-N-(3,3,5,5-tetramethylcyclohexyl)benzamide?
The IUPAC name of 2-amino-3-chloro-N-(3,3,5,5-tetramethylcyclohexyl)benzamide (CID 103965097) is 2-amino-3-chloro-N-(3,3,5,5-tetramethylcyclohexyl)benzamide.
What is the SMILES notation for 2-amino-3-chloro-N-(3,3,5,5-tetramethylcyclohexyl)benzamide?
The canonical SMILES for 2-amino-3-chloro-N-(3,3,5,5-tetramethylcyclohexyl)benzamide is CC1(C)CC(NC(=O)c2cccc(Cl)c2N)CC(C)(C)C1.
What is the InChIKey of 2-amino-3-chloro-N-(3,3,5,5-tetramethylcyclohexyl)benzamide?
The InChIKey is PVDBEQRXNMQHMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O/c1-16(2)8-11(9-17(3,4)10-16)20-15(21)12-6-5-7-13(18)14(12)19/h5-7,11H,8-10,19H2,1-4H3,(H,20,21).
What are the key properties of 2-amino-3-chloro-N-(3,3,5,5-tetramethylcyclohexyl)benzamide?
2-amino-3-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 2-amino-3-chloro-N-(3,3,5,5-tetramethylcyclohexyl)benzamide is sourced from PubChem (CID 103965097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).