5-amino-2-chloro-N-(4-methylcyclohexyl)benzamide

C14H19ClN2O — CID 16796108

IUPAC5-amino-2-chloro-N-(4-methylcyclohexyl)benzamide
SMILESCC1CCC(NC(=O)c2cc(N)ccc2Cl)CC1
InChIInChI=1S/C14H19ClN2O/c1-9-2-5-11(6-3-9)17-14(18)12-8-10(16)4-7-13(12)15/h4,7-9,11H,2-3,5-6,16H2,1H3,(H,17,18)
InChIKeyABZJKVDJZKWCTA-UHFFFAOYSA-N
MW266.77 g/mol
LogP3.23
Rot. Bonds2

About 5-amino-2-chloro-N-(4-methylcyclohexyl)benzamide

5-amino-2-chloro-N-(4-methylcyclohexyl)benzamide (PubChem CID 16796108) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is 5-amino-2-chloro-N-(4-methylcyclohexyl)benzamide.

Molecular Properties

Compound Name5-amino-2-chloro-N-(4-methylcyclohexyl)benzamide
PubChem CID16796108
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name5-amino-2-chloro-N-(4-methylcyclohexyl)benzamide
SMILESCC1CCC(NC(=O)c2cc(N)ccc2Cl)CC1
InChIInChI=1S/C14H19ClN2O/c1-9-2-5-11(6-3-9)17-14(18)12-8-10(16)4-7-13(12)15/h4,7-9,11H,2-3,5-6,16H2,1H3,(H,17,18)
InChIKeyABZJKVDJZKWCTA-UHFFFAOYSA-N
XLogP3.23
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 53.23
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-amino-2-fluoro-N-(4-methylcyclohexyl)benzamide
CID 43510704
5-amino-2-methoxy-N-(4-methylcyclohexyl)benzamide
CID 28690128
5-amino-2-chloro-N-(1-methylpyrrolidin-3-yl)benzamide
CID 54949514
5-amino-N-(4-methylcyclohexyl)-2-nitrobenzamide
CID 62156540
5-amino-2-chloro-N-(thiolan-3-yl)benzamide
CID 103062189
2,5-dichloro-N-[4-[(2,5-dichlorobenzoyl)amino]cyclohexyl]benzamide
CID 2165949
2-chloro-N-(4-methylcyclohexyl)furan-3-carboxamide
CID 106685258
5-amino-N-cyclopropyl-2-(propylamino)benzamide
CID 100638190
5-amino-2-methoxy-N-(3-methylcyclopentyl)benzamide
CID 114542636
5-amino-2-chloro-N-(1-ethylpiperidin-3-yl)benzamide
CID 61170350
4-chloro-2-iodo-N-(4-methylcyclohexyl)benzamide
CID 38911122
5-amino-N-(4-carbamoylcyclohexyl)-2-methylbenzamide
CID 61291951

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-chloro-N-(4-methylcyclohexyl)benzamide?
The IUPAC name of 5-amino-2-chloro-N-(4-methylcyclohexyl)benzamide (CID 16796108) is 5-amino-2-chloro-N-(4-methylcyclohexyl)benzamide.
What is the SMILES notation for 5-amino-2-chloro-N-(4-methylcyclohexyl)benzamide?
The canonical SMILES for 5-amino-2-chloro-N-(4-methylcyclohexyl)benzamide is CC1CCC(NC(=O)c2cc(N)ccc2Cl)CC1.
What is the InChIKey of 5-amino-2-chloro-N-(4-methylcyclohexyl)benzamide?
The InChIKey is ABZJKVDJZKWCTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-9-2-5-11(6-3-9)17-14(18)12-8-10(16)4-7-13(12)15/h4,7-9,11H,2-3,5-6,16H2,1H3,(H,17,18).
What are the key properties of 5-amino-2-chloro-N-(4-methylcyclohexyl)benzamide?
5-amino-2-chloro-N-(4-methylcyclohexyl)benzamide has a molecular weight of 266.77 g/mol, XLogP of 3.23, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-chloro-N-(4-methylcyclohexyl)benzamide is sourced from PubChem (CID 16796108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).