5-amino-3-chloro-2-[(1-methylcyclobutyl)amino]benzamide

C12H16ClN3O — CID 107196745

IUPAC5-amino-3-chloro-2-[(1-methylcyclobutyl)amino]benzamide
SMILESCC1(Nc2c(Cl)cc(N)cc2C(N)=O)CCC1
InChIInChI=1S/C12H16ClN3O/c1-12(3-2-4-12)16-10-8(11(15)17)5-7(14)6-9(10)13/h5-6,16H,2-4,14H2,1H3,(H2,15,17)
InChIKeyFYJKLWXHWTXJMF-UHFFFAOYSA-N
MW253.73 g/mol
LogP2.38
Rot. Bonds3

About 5-amino-3-chloro-2-[(1-methylcyclobutyl)amino]benzamide

5-amino-3-chloro-2-[(1-methylcyclobutyl)amino]benzamide (PubChem CID 107196745) has the molecular formula C12H16ClN3O and a molecular weight of 253.73 g/mol. Its IUPAC name is 5-amino-3-chloro-2-[(1-methylcyclobutyl)amino]benzamide.

Molecular Properties

Compound Name5-amino-3-chloro-2-[(1-methylcyclobutyl)amino]benzamide
PubChem CID107196745
Molecular FormulaC12H16ClN3O
Molecular Weight253.73 g/mol
Exact Mass253.10
IUPAC Name5-amino-3-chloro-2-[(1-methylcyclobutyl)amino]benzamide
SMILESCC1(Nc2c(Cl)cc(N)cc2C(N)=O)CCC1
InChIInChI=1S/C12H16ClN3O/c1-12(3-2-4-12)16-10-8(11(15)17)5-7(14)6-9(10)13/h5-6,16H,2-4,14H2,1H3,(H2,15,17)
InChIKeyFYJKLWXHWTXJMF-UHFFFAOYSA-N
XLogP2.38
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-3-chloro-2-(ethylamino)benzamide
CID 107192494
5-amino-3-chloro-2-[(1,4-dimethylpiperidin-4-yl)methylamino]benzamide
CID 107197042
5-amino-3-chloro-2-(cyclopropylamino)benzamide
CID 107192447
5-amino-3-chloro-2-(cycloheptylamino)benzamide
CID 107193767
5-amino-3-chloro-2-[(1-cyclopropylcyclopropyl)methylamino]benzamide
CID 114096478
5-amino-3-chloro-2-(2,4,6-trimethylanilino)benzamide
CID 107192577
5-amino-3-chloro-2-[(4-methylcyclohexyl)amino]benzamide
CID 107196901
5-amino-3-chloro-2-[(2-propan-2-ylcyclohexyl)amino]benzamide
CID 107196453
5-amino-3-chloro-2-[2-(dimethylamino)ethylamino]benzamide
CID 107192487
5-amino-2,3-dichlorobenzamide
CID 107183127
5-amino-3-chloro-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]benzamide
CID 107196630
3-chloro-2-[(1-methylcyclohexyl)amino]-5-nitrobenzoic acid
CID 107190519

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-chloro-2-[(1-methylcyclobutyl)amino]benzamide?
The IUPAC name of 5-amino-3-chloro-2-[(1-methylcyclobutyl)amino]benzamide (CID 107196745) is 5-amino-3-chloro-2-[(1-methylcyclobutyl)amino]benzamide.
What is the SMILES notation for 5-amino-3-chloro-2-[(1-methylcyclobutyl)amino]benzamide?
The canonical SMILES for 5-amino-3-chloro-2-[(1-methylcyclobutyl)amino]benzamide is CC1(Nc2c(Cl)cc(N)cc2C(N)=O)CCC1.
What is the InChIKey of 5-amino-3-chloro-2-[(1-methylcyclobutyl)amino]benzamide?
The InChIKey is FYJKLWXHWTXJMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O/c1-12(3-2-4-12)16-10-8(11(15)17)5-7(14)6-9(10)13/h5-6,16H,2-4,14H2,1H3,(H2,15,17).
What are the key properties of 5-amino-3-chloro-2-[(1-methylcyclobutyl)amino]benzamide?
5-amino-3-chloro-2-[(1-methylcyclobutyl)amino]benzamide has a molecular weight of 253.73 g/mol, XLogP of 2.38, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-chloro-2-[(1-methylcyclobutyl)amino]benzamide is sourced from PubChem (CID 107196745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).