2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-chlorobenzamide

C12H16ClN3O2 — CID 114167051

IUPAC2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-chlorobenzamide
SMILESCC(C)(CNC(=O)c1cccc(Cl)c1N)C(N)=O
InChIInChI=1S/C12H16ClN3O2/c1-12(2,11(15)18)6-16-10(17)7-4-3-5-8(13)9(7)14/h3-5H,6,14H2,1-2H3,(H2,15,18)(H,16,17)
InChIKeyNGBZETLEASFFSD-UHFFFAOYSA-N
MW269.73 g/mol
LogP1.16
Rot. Bonds4

About 2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-chlorobenzamide

2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-chlorobenzamide (PubChem CID 114167051) has the molecular formula C12H16ClN3O2 and a molecular weight of 269.73 g/mol. Its IUPAC name is 2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-chlorobenzamide.

Molecular Properties

Compound Name2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-chlorobenzamide
PubChem CID114167051
Molecular FormulaC12H16ClN3O2
Molecular Weight269.73 g/mol
Exact Mass269.09
IUPAC Name2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-chlorobenzamide
SMILESCC(C)(CNC(=O)c1cccc(Cl)c1N)C(N)=O
InChIInChI=1S/C12H16ClN3O2/c1-12(2,11(15)18)6-16-10(17)7-4-3-5-8(13)9(7)14/h3-5H,6,14H2,1-2H3,(H2,15,18)(H,16,17)
InChIKeyNGBZETLEASFFSD-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-(3-amino-2,2-dimethyl-3-oxopropyl)-3-fluorobenzamide
CID 106276529
2-amino-3-chloro-N-(2-methyl-2-phenylpropyl)benzamide
CID 115540422
2-amino-3-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]benzamide
CID 106249355
2-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-3-chlorobenzamide
CID 115540469
2-amino-3-chloro-N-propylbenzamide
CID 80503191
2-amino-N-carbamoyl-3-chlorobenzamide
CID 82547464
N-(2-amino-2-methylpropyl)-2-chlorobenzamide;hydrochloride
CID 119630194
2-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-fluorobenzamide
CID 62649866
N-(3-amino-2,2-dimethyl-3-oxopropyl)-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide
CID 106276424
2-amino-3-chloro-N-[2-(methanesulfonamido)ethyl]benzamide
CID 115540069
2-amino-N-(4-hydroxy-2,2-dimethylbutyl)-3-methylbenzamide
CID 106139307
N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-bromo-4-chlorobenzamide
CID 113257326

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-chlorobenzamide?
The IUPAC name of 2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-chlorobenzamide (CID 114167051) is 2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-chlorobenzamide.
What is the SMILES notation for 2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-chlorobenzamide?
The canonical SMILES for 2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-chlorobenzamide is CC(C)(CNC(=O)c1cccc(Cl)c1N)C(N)=O.
What is the InChIKey of 2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-chlorobenzamide?
The InChIKey is NGBZETLEASFFSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O2/c1-12(2,11(15)18)6-16-10(17)7-4-3-5-8(13)9(7)14/h3-5H,6,14H2,1-2H3,(H2,15,18)(H,16,17).
What are the key properties of 2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-chlorobenzamide?
2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-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-(3-amino-2,2-dimethyl-3-oxopropyl)-3-chlorobenzamide is sourced from PubChem (CID 114167051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).