2-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)-6-chlorobenzamide

C12H16ClN3O2 — CID 106343673

IUPAC2-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)-6-chlorobenzamide
SMILESCC(C)C(NC(=O)c1c(N)cccc1Cl)C(N)=O
InChIInChI=1S/C12H16ClN3O2/c1-6(2)10(11(15)17)16-12(18)9-7(13)4-3-5-8(9)14/h3-6,10H,14H2,1-2H3,(H2,15,17)(H,16,18)
InChIKeyMBIYVQVTGGHIPG-UHFFFAOYSA-N
MW269.73 g/mol
LogP1.16
Rot. Bonds4

About 2-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)-6-chlorobenzamide

2-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)-6-chlorobenzamide (PubChem CID 106343673) has the molecular formula C12H16ClN3O2 and a molecular weight of 269.73 g/mol. Its IUPAC name is 2-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)-6-chlorobenzamide.

Molecular Properties

Compound Name2-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)-6-chlorobenzamide
PubChem CID106343673
Molecular FormulaC12H16ClN3O2
Molecular Weight269.73 g/mol
Exact Mass269.09
IUPAC Name2-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)-6-chlorobenzamide
SMILESCC(C)C(NC(=O)c1c(N)cccc1Cl)C(N)=O
InChIInChI=1S/C12H16ClN3O2/c1-6(2)10(11(15)17)16-12(18)9-7(13)4-3-5-8(9)14/h3-6,10H,14H2,1-2H3,(H2,15,17)(H,16,18)
InChIKeyMBIYVQVTGGHIPG-UHFFFAOYSA-N
XLogP1.16
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 51.16
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-(1-amino-3-methyl-1-oxobutan-2-yl)-6-ethoxybenzamide
CID 106343706
2-amino-6-chloro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide
CID 114176666
2-amino-6-chloro-N-hexan-2-ylbenzamide
CID 63660411
2-amino-6-chloro-N-[1-(2-methylphenyl)ethyl]benzamide
CID 63659319
(2R)-2-[[(2S)-2-(2,6-dichlorophenyl)propanoyl]amino]-3-methylbutanamide
CID 96532965
2-amino-6-chlorobenzohydrazide;ethane
CID 145125015
N-(1-amino-3-methyl-1-oxobutan-2-yl)-2,3-dihydroxybenzamide
CID 103187229
methyl 2-[(2-amino-6-methylbenzoyl)amino]-3-methylbutanoate
CID 43451998
2-amino-6-chloro-N-(1-pyridin-3-ylethyl)benzamide
CID 63660235
2-amino-6-chloro-N-[1-(oxolan-2-yl)ethyl]benzamide
CID 63660237
2-[[2-(2-aminophenyl)acetyl]amino]-3-methylbutanamide
CID 113315006
4-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)-3-methylbenzamide
CID 113268975

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)-6-chlorobenzamide?
The IUPAC name of 2-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)-6-chlorobenzamide (CID 106343673) is 2-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)-6-chlorobenzamide.
What is the SMILES notation for 2-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)-6-chlorobenzamide?
The canonical SMILES for 2-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)-6-chlorobenzamide is CC(C)C(NC(=O)c1c(N)cccc1Cl)C(N)=O.
What is the InChIKey of 2-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)-6-chlorobenzamide?
The InChIKey is MBIYVQVTGGHIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O2/c1-6(2)10(11(15)17)16-12(18)9-7(13)4-3-5-8(9)14/h3-6,10H,14H2,1-2H3,(H2,15,17)(H,16,18).
What are the key properties of 2-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)-6-chlorobenzamide?
2-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)-6-chlorobenzamide has a molecular weight of 269.73 g/mol, XLogP of 1.16, 4 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-3-methyl-1-oxobutan-2-yl)-6-chlorobenzamide is sourced from PubChem (CID 106343673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).