4-amino-2-chloro-N-(1-methoxy-2-methylpropan-2-yl)benzamide

C12H17ClN2O2 — CID 115738829

IUPAC4-amino-2-chloro-N-(1-methoxy-2-methylpropan-2-yl)benzamide
SMILESCOCC(C)(C)NC(=O)c1ccc(N)cc1Cl
InChIInChI=1S/C12H17ClN2O2/c1-12(2,7-17-3)15-11(16)9-5-4-8(14)6-10(9)13/h4-6H,7,14H2,1-3H3,(H,15,16)
InChIKeyPVQWSRDHSVUKIZ-UHFFFAOYSA-N
MW256.73 g/mol
LogP2.08
Rot. Bonds4

About 4-amino-2-chloro-N-(1-methoxy-2-methylpropan-2-yl)benzamide

4-amino-2-chloro-N-(1-methoxy-2-methylpropan-2-yl)benzamide (PubChem CID 115738829) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is 4-amino-2-chloro-N-(1-methoxy-2-methylpropan-2-yl)benzamide.

Molecular Properties

Compound Name4-amino-2-chloro-N-(1-methoxy-2-methylpropan-2-yl)benzamide
PubChem CID115738829
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC Name4-amino-2-chloro-N-(1-methoxy-2-methylpropan-2-yl)benzamide
SMILESCOCC(C)(C)NC(=O)c1ccc(N)cc1Cl
InChIInChI=1S/C12H17ClN2O2/c1-12(2,7-17-3)15-11(16)9-5-4-8(14)6-10(9)13/h4-6H,7,14H2,1-3H3,(H,15,16)
InChIKeyPVQWSRDHSVUKIZ-UHFFFAOYSA-N
XLogP2.08
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-chloro-N-(1-methoxy-2-methylpropan-2-yl)benzamide;hydrochloride
CID 119760977
4-amino-2-chloro-N-(2-methylbutan-2-yl)benzamide
CID 16771675
methyl 3-[(4-amino-2-chlorobenzoyl)amino]-2,2-dimethylpropanoate;hydrochloride
CID 119789369
4-amino-2-chloro-N-(1-hydroxy-2-methylbutan-2-yl)benzamide
CID 64549490
5-amino-2-chloro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 43498518
4-amino-2-chloro-N-(2,2-dimethylpropyl)benzamide;hydrochloride
CID 119709087
4-amino-2-chloro-N-(3-hydroxy-2,2-dimethylpropyl)benzamide
CID 110464984
methyl (2R)-2-[(2,4-dichlorobenzoyl)amino]-3-methoxy-2-methylpropanoate
CID 96539434
3-chloro-4-hydroxy-N-(1-methoxy-2-methylpropan-2-yl)benzamide
CID 113470520
4-amino-2-chloro-N-ethylbenzamide;hydrochloride
CID 47000809
4-amino-2-chloro-N-(3,3-dimethylbutan-2-yl)benzamide
CID 113266180
4-amino-2-chloro-N-(2-methyl-2-methylsulfonylpropyl)benzamide
CID 79552037

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-chloro-N-(1-methoxy-2-methylpropan-2-yl)benzamide?
The IUPAC name of 4-amino-2-chloro-N-(1-methoxy-2-methylpropan-2-yl)benzamide (CID 115738829) is 4-amino-2-chloro-N-(1-methoxy-2-methylpropan-2-yl)benzamide.
What is the SMILES notation for 4-amino-2-chloro-N-(1-methoxy-2-methylpropan-2-yl)benzamide?
The canonical SMILES for 4-amino-2-chloro-N-(1-methoxy-2-methylpropan-2-yl)benzamide is COCC(C)(C)NC(=O)c1ccc(N)cc1Cl.
What is the InChIKey of 4-amino-2-chloro-N-(1-methoxy-2-methylpropan-2-yl)benzamide?
The InChIKey is PVQWSRDHSVUKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2/c1-12(2,7-17-3)15-11(16)9-5-4-8(14)6-10(9)13/h4-6H,7,14H2,1-3H3,(H,15,16).
What are the key properties of 4-amino-2-chloro-N-(1-methoxy-2-methylpropan-2-yl)benzamide?
4-amino-2-chloro-N-(1-methoxy-2-methylpropan-2-yl)benzamide has a molecular weight of 256.73 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-chloro-N-(1-methoxy-2-methylpropan-2-yl)benzamide is sourced from PubChem (CID 115738829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).