2-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-3-chlorobenzamide

C11H14ClN3O2 — CID 115540469

IUPAC2-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-3-chlorobenzamide
SMILESCC(C)(NC(=O)c1cccc(Cl)c1N)C(N)=O
InChIInChI=1S/C11H14ClN3O2/c1-11(2,10(14)17)15-9(16)6-4-3-5-7(12)8(6)13/h3-5H,13H2,1-2H3,(H2,14,17)(H,15,16)
InChIKeyZZAYTWIHCZBVAQ-UHFFFAOYSA-N
MW255.71 g/mol
LogP0.92
Rot. Bonds3

About 2-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-3-chlorobenzamide

2-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-3-chlorobenzamide (PubChem CID 115540469) has the molecular formula C11H14ClN3O2 and a molecular weight of 255.71 g/mol. Its IUPAC name is 2-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-3-chlorobenzamide.

Molecular Properties

Compound Name2-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-3-chlorobenzamide
PubChem CID115540469
Molecular FormulaC11H14ClN3O2
Molecular Weight255.71 g/mol
Exact Mass255.08
IUPAC Name2-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-3-chlorobenzamide
SMILESCC(C)(NC(=O)c1cccc(Cl)c1N)C(N)=O
InChIInChI=1S/C11H14ClN3O2/c1-11(2,10(14)17)15-9(16)6-4-3-5-7(12)8(6)13/h3-5H,13H2,1-2H3,(H2,14,17)(H,15,16)
InChIKeyZZAYTWIHCZBVAQ-UHFFFAOYSA-N
XLogP0.92
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.71
LogP ≤ 50.92
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

2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-chlorobenzamide
CID 114167051
3-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-methylbenzamide
CID 61212549
2-amino-N-carbamoyl-3-chlorobenzamide
CID 82547464
2-amino-3-chloro-N-[3-(hydroxymethyl)pentan-3-yl]benzamide
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2-amino-3-chloro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
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2-amino-3-chloro-N-propylbenzamide
CID 80503191
N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-chlorofuran-3-carboxamide
CID 106686516
2-amino-3-chloro-N-(2-methyl-2-phenylpropyl)benzamide
CID 115540422
2-amino-N-(2-carbamoylphenyl)-3-chlorobenzamide
CID 80503937
N-tert-butyl-2,3-dichlorobenzamide
CID 60643074
2,4-diamino-N-(1-amino-2-methyl-1-oxopropan-2-yl)benzamide
CID 61212389
N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-(ethylamino)-3-fluorobenzamide
CID 62660729

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-3-chlorobenzamide?
The IUPAC name of 2-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-3-chlorobenzamide (CID 115540469) is 2-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-3-chlorobenzamide.
What is the SMILES notation for 2-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-3-chlorobenzamide?
The canonical SMILES for 2-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-3-chlorobenzamide is CC(C)(NC(=O)c1cccc(Cl)c1N)C(N)=O.
What is the InChIKey of 2-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-3-chlorobenzamide?
The InChIKey is ZZAYTWIHCZBVAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O2/c1-11(2,10(14)17)15-9(16)6-4-3-5-7(12)8(6)13/h3-5H,13H2,1-2H3,(H2,14,17)(H,15,16).
What are the key properties of 2-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-3-chlorobenzamide?
2-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-3-chlorobenzamide has a molecular weight of 255.71 g/mol, XLogP of 0.92, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-3-chlorobenzamide is sourced from PubChem (CID 115540469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).