5-amino-2-chloro-N-(1-cyanocyclohexyl)benzamide

C14H16ClN3O — CID 110473984

IUPAC5-amino-2-chloro-N-(1-cyanocyclohexyl)benzamide
SMILESN#CC1(NC(=O)c2cc(N)ccc2Cl)CCCCC1
InChIInChI=1S/C14H16ClN3O/c15-12-5-4-10(17)8-11(12)13(19)18-14(9-16)6-2-1-3-7-14/h4-5,8H,1-3,6-7,17H2,(H,18,19)
InChIKeyBBDMJRNLKMBVFJ-UHFFFAOYSA-N
MW277.75 g/mol
LogP2.88
Rot. Bonds2

About 5-amino-2-chloro-N-(1-cyanocyclohexyl)benzamide

5-amino-2-chloro-N-(1-cyanocyclohexyl)benzamide (PubChem CID 110473984) has the molecular formula C14H16ClN3O and a molecular weight of 277.75 g/mol. Its IUPAC name is 5-amino-2-chloro-N-(1-cyanocyclohexyl)benzamide.

Molecular Properties

Compound Name5-amino-2-chloro-N-(1-cyanocyclohexyl)benzamide
PubChem CID110473984
Molecular FormulaC14H16ClN3O
Molecular Weight277.75 g/mol
Exact Mass277.10
IUPAC Name5-amino-2-chloro-N-(1-cyanocyclohexyl)benzamide
SMILESN#CC1(NC(=O)c2cc(N)ccc2Cl)CCCCC1
InChIInChI=1S/C14H16ClN3O/c15-12-5-4-10(17)8-11(12)13(19)18-14(9-16)6-2-1-3-7-14/h4-5,8H,1-3,6-7,17H2,(H,18,19)
InChIKeyBBDMJRNLKMBVFJ-UHFFFAOYSA-N
XLogP2.88
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-chloro-N-(1-cyanocyclohexyl)benzamide
CID 110474001
5-bromo-2-chloro-N-(1-cyanocyclobutyl)benzamide
CID 54912686
2-amino-N-(1-cyanocyclohexyl)benzamide
CID 110474346
4-chloro-N-(1-cyanocyclohexyl)-2-hydroxybenzamide
CID 60717137
5-chloro-N-(1-cyanocyclohexyl)-2-iodobenzamide
CID 86986055
5-amino-2-chloro-N-[(1-hydroxycycloheptyl)methyl]benzamide
CID 65123464
2-chloro-N-(1-cyanocyclobutyl)furan-3-carboxamide
CID 106685763
4-chloro-N-(1-cyanocyclopentyl)-6-methylpyridine-3-carboxamide
CID 103893850
4-chloro-N-(1-cyanocyclohexyl)-3-nitrobenzamide
CID 78805852
2,6-dichloro-N-(1-cyanocycloheptyl)pyridine-4-carboxamide
CID 60966983
2-chloro-N-(4-cyano-1-methylpiperidin-4-yl)-5-hydroxybenzamide
CID 106500981
5-chloro-N-(1-cyanocycloheptyl)thiophene-2-carboxamide
CID 55024708

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-chloro-N-(1-cyanocyclohexyl)benzamide?
The IUPAC name of 5-amino-2-chloro-N-(1-cyanocyclohexyl)benzamide (CID 110473984) is 5-amino-2-chloro-N-(1-cyanocyclohexyl)benzamide.
What is the SMILES notation for 5-amino-2-chloro-N-(1-cyanocyclohexyl)benzamide?
The canonical SMILES for 5-amino-2-chloro-N-(1-cyanocyclohexyl)benzamide is N#CC1(NC(=O)c2cc(N)ccc2Cl)CCCCC1.
What is the InChIKey of 5-amino-2-chloro-N-(1-cyanocyclohexyl)benzamide?
The InChIKey is BBDMJRNLKMBVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c15-12-5-4-10(17)8-11(12)13(19)18-14(9-16)6-2-1-3-7-14/h4-5,8H,1-3,6-7,17H2,(H,18,19).
What are the key properties of 5-amino-2-chloro-N-(1-cyanocyclohexyl)benzamide?
5-amino-2-chloro-N-(1-cyanocyclohexyl)benzamide has a molecular weight of 277.75 g/mol, XLogP of 2.88, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-chloro-N-(1-cyanocyclohexyl)benzamide is sourced from PubChem (CID 110473984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).