5-amino-2-chloro-N-(2,2-dimethylpropyl)benzamide

C12H17ClN2O — CID 61166278

IUPAC5-amino-2-chloro-N-(2,2-dimethylpropyl)benzamide
SMILESCC(C)(C)CNC(=O)c1cc(N)ccc1Cl
InChIInChI=1S/C12H17ClN2O/c1-12(2,3)7-15-11(16)9-6-8(14)4-5-10(9)13/h4-6H,7,14H2,1-3H3,(H,15,16)
InChIKeyZYUIURNJWUTEEZ-UHFFFAOYSA-N
MW240.73 g/mol
LogP2.70
Rot. Bonds2

About 5-amino-2-chloro-N-(2,2-dimethylpropyl)benzamide

5-amino-2-chloro-N-(2,2-dimethylpropyl)benzamide (PubChem CID 61166278) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 5-amino-2-chloro-N-(2,2-dimethylpropyl)benzamide.

Molecular Properties

Compound Name5-amino-2-chloro-N-(2,2-dimethylpropyl)benzamide
PubChem CID61166278
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name5-amino-2-chloro-N-(2,2-dimethylpropyl)benzamide
SMILESCC(C)(C)CNC(=O)c1cc(N)ccc1Cl
InChIInChI=1S/C12H17ClN2O/c1-12(2,3)7-15-11(16)9-6-8(14)4-5-10(9)13/h4-6H,7,14H2,1-3H3,(H,15,16)
InChIKeyZYUIURNJWUTEEZ-UHFFFAOYSA-N
XLogP2.70
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-chloro-N-(2,2-dimethylpropyl)benzamide;hydrochloride
CID 119709087
5-amino-2-chloro-N-(2-methyl-2-phenylpropyl)benzamide
CID 61140358
4-amino-2-chloro-N-(3-hydroxy-2,2-dimethylpropyl)benzamide
CID 110464984
2-[(5-amino-2-chlorobenzoyl)amino]acetic acid
CID 50851078
5-amino-2-chloro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 43498518
5-amino-2-chloro-N-(2-methylprop-2-enyl)benzamide
CID 114614975
4-amino-2-chloro-N-(2-methyl-2-methylsulfonylpropyl)benzamide
CID 79552037
5-amino-N-(2,2-dimethylbutyl)-2-methylbenzamide
CID 103459942
6-amino-3-chloro-N-(2,2-dimethylpropyl)pyridine-2-carboxamide
CID 62159814
4-amino-2-fluoro-N-(3-hydroxy-2,2-dimethylpropyl)benzamide
CID 113293421
methyl 3-[(4-amino-2-chlorobenzoyl)amino]-2,2-dimethylpropanoate;hydrochloride
CID 119789369
4-amino-2-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide
CID 65104066

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-chloro-N-(2,2-dimethylpropyl)benzamide?
The IUPAC name of 5-amino-2-chloro-N-(2,2-dimethylpropyl)benzamide (CID 61166278) is 5-amino-2-chloro-N-(2,2-dimethylpropyl)benzamide.
What is the SMILES notation for 5-amino-2-chloro-N-(2,2-dimethylpropyl)benzamide?
The canonical SMILES for 5-amino-2-chloro-N-(2,2-dimethylpropyl)benzamide is CC(C)(C)CNC(=O)c1cc(N)ccc1Cl.
What is the InChIKey of 5-amino-2-chloro-N-(2,2-dimethylpropyl)benzamide?
The InChIKey is ZYUIURNJWUTEEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-12(2,3)7-15-11(16)9-6-8(14)4-5-10(9)13/h4-6H,7,14H2,1-3H3,(H,15,16).
What are the key properties of 5-amino-2-chloro-N-(2,2-dimethylpropyl)benzamide?
5-amino-2-chloro-N-(2,2-dimethylpropyl)benzamide has a molecular weight of 240.73 g/mol, XLogP of 2.70, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-chloro-N-(2,2-dimethylpropyl)benzamide is sourced from PubChem (CID 61166278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).