3-amino-5-chloro-4-(cyclohexylamino)benzamide

C13H18ClN3O — CID 56773062

IUPAC3-amino-5-chloro-4-(cyclohexylamino)benzamide
SMILESNC(=O)c1cc(N)c(NC2CCCCC2)c(Cl)c1
InChIInChI=1S/C13H18ClN3O/c14-10-6-8(13(16)18)7-11(15)12(10)17-9-4-2-1-3-5-9/h6-7,9,17H,1-5,15H2,(H2,16,18)
InChIKeyVOYUYXFVSGATLF-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.77
Rot. Bonds3

About 3-amino-5-chloro-4-(cyclohexylamino)benzamide

3-amino-5-chloro-4-(cyclohexylamino)benzamide (PubChem CID 56773062) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is 3-amino-5-chloro-4-(cyclohexylamino)benzamide.

Molecular Properties

Compound Name3-amino-5-chloro-4-(cyclohexylamino)benzamide
PubChem CID56773062
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC Name3-amino-5-chloro-4-(cyclohexylamino)benzamide
SMILESNC(=O)c1cc(N)c(NC2CCCCC2)c(Cl)c1
InChIInChI=1S/C13H18ClN3O/c14-10-6-8(13(16)18)7-11(15)12(10)17-9-4-2-1-3-5-9/h6-7,9,17H,1-5,15H2,(H2,16,18)
InChIKeyVOYUYXFVSGATLF-UHFFFAOYSA-N
XLogP2.77
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-chloro-4-(cyclohexylamino)benzamide?
The IUPAC name of 3-amino-5-chloro-4-(cyclohexylamino)benzamide (CID 56773062) is 3-amino-5-chloro-4-(cyclohexylamino)benzamide.
What is the SMILES notation for 3-amino-5-chloro-4-(cyclohexylamino)benzamide?
The canonical SMILES for 3-amino-5-chloro-4-(cyclohexylamino)benzamide is NC(=O)c1cc(N)c(NC2CCCCC2)c(Cl)c1.
What is the InChIKey of 3-amino-5-chloro-4-(cyclohexylamino)benzamide?
The InChIKey is VOYUYXFVSGATLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O/c14-10-6-8(13(16)18)7-11(15)12(10)17-9-4-2-1-3-5-9/h6-7,9,17H,1-5,15H2,(H2,16,18).
What are the key properties of 3-amino-5-chloro-4-(cyclohexylamino)benzamide?
3-amino-5-chloro-4-(cyclohexylamino)benzamide has a molecular weight of 267.76 g/mol, XLogP of 2.77, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-chloro-4-(cyclohexylamino)benzamide is sourced from PubChem (CID 56773062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).