5-amino-3-chloro-2-(3-methylpentan-2-ylamino)benzamide

C13H20ClN3O — CID 107194825

IUPAC5-amino-3-chloro-2-(3-methylpentan-2-ylamino)benzamide
SMILESCCC(C)C(C)Nc1c(Cl)cc(N)cc1C(N)=O
InChIInChI=1S/C13H20ClN3O/c1-4-7(2)8(3)17-12-10(13(16)18)5-9(15)6-11(12)14/h5-8,17H,4,15H2,1-3H3,(H2,16,18)
InChIKeyBDZOAHQOJOTLNS-UHFFFAOYSA-N
MW269.78 g/mol
LogP2.87
Rot. Bonds5

About 5-amino-3-chloro-2-(3-methylpentan-2-ylamino)benzamide

5-amino-3-chloro-2-(3-methylpentan-2-ylamino)benzamide (PubChem CID 107194825) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is 5-amino-3-chloro-2-(3-methylpentan-2-ylamino)benzamide.

Molecular Properties

Compound Name5-amino-3-chloro-2-(3-methylpentan-2-ylamino)benzamide
PubChem CID107194825
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC Name5-amino-3-chloro-2-(3-methylpentan-2-ylamino)benzamide
SMILESCCC(C)C(C)Nc1c(Cl)cc(N)cc1C(N)=O
InChIInChI=1S/C13H20ClN3O/c1-4-7(2)8(3)17-12-10(13(16)18)5-9(15)6-11(12)14/h5-8,17H,4,15H2,1-3H3,(H2,16,18)
InChIKeyBDZOAHQOJOTLNS-UHFFFAOYSA-N
XLogP2.87
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-amino-3-chloro-2-(3-methylpentan-2-ylamino)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-3-chloro-2-(3-methylpentan-2-ylamino)benzoic acid
CID 107194827
5-amino-3-chloro-2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]benzamide
CID 107196988
5-amino-3-chloro-2-(ethylamino)benzamide
CID 107192494
5-amino-3-chloro-2-(4-ethylsulfanylbutan-2-ylamino)benzamide
CID 107196840
5-amino-3-chloro-2-(2-ethoxypropylamino)benzamide
CID 107196713
5-amino-3-chloro-2-[2-(2-methylpropoxy)ethylamino]benzamide
CID 107196857
5-amino-3-chloro-2-[1-(4-fluorophenyl)ethylamino]benzamide
CID 107195031
5-amino-2-butan-2-yloxy-3-chlorobenzamide
CID 107197693
5-amino-3-chloro-2-[1-(furan-2-yl)ethylamino]benzamide
CID 107194018
5-amino-3-chloro-2-[1-(2-methylphenyl)ethylamino]benzamide
CID 107195073
ethyl 5-amino-2-[(4-amino-4-oxobutan-2-yl)amino]-3-chlorobenzoate
CID 107196790
5-amino-3-chloro-2-(1-imidazol-1-ylpropan-2-ylamino)benzamide
CID 107195013

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-chloro-2-(3-methylpentan-2-ylamino)benzamide?
The IUPAC name of 5-amino-3-chloro-2-(3-methylpentan-2-ylamino)benzamide (CID 107194825) is 5-amino-3-chloro-2-(3-methylpentan-2-ylamino)benzamide.
What is the SMILES notation for 5-amino-3-chloro-2-(3-methylpentan-2-ylamino)benzamide?
The canonical SMILES for 5-amino-3-chloro-2-(3-methylpentan-2-ylamino)benzamide is CCC(C)C(C)Nc1c(Cl)cc(N)cc1C(N)=O.
What is the InChIKey of 5-amino-3-chloro-2-(3-methylpentan-2-ylamino)benzamide?
The InChIKey is BDZOAHQOJOTLNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O/c1-4-7(2)8(3)17-12-10(13(16)18)5-9(15)6-11(12)14/h5-8,17H,4,15H2,1-3H3,(H2,16,18).
What are the key properties of 5-amino-3-chloro-2-(3-methylpentan-2-ylamino)benzamide?
5-amino-3-chloro-2-(3-methylpentan-2-ylamino)benzamide has a molecular weight of 269.78 g/mol, XLogP of 2.87, 5 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-(3-methylpentan-2-ylamino)benzamide is sourced from PubChem (CID 107194825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).