4-amino-2-chloro-N-(2-methylbutan-2-yl)benzamide

C12H17ClN2O — CID 16771675

IUPAC4-amino-2-chloro-N-(2-methylbutan-2-yl)benzamide
SMILESCCC(C)(C)NC(=O)c1ccc(N)cc1Cl
InChIInChI=1S/C12H17ClN2O/c1-4-12(2,3)15-11(16)9-6-5-8(14)7-10(9)13/h5-7H,4,14H2,1-3H3,(H,15,16)
InChIKeyOKZWALVNLSMRLX-UHFFFAOYSA-N
MW240.73 g/mol
LogP2.84
Rot. Bonds3

About 4-amino-2-chloro-N-(2-methylbutan-2-yl)benzamide

4-amino-2-chloro-N-(2-methylbutan-2-yl)benzamide (PubChem CID 16771675) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 4-amino-2-chloro-N-(2-methylbutan-2-yl)benzamide.

Molecular Properties

Compound Name4-amino-2-chloro-N-(2-methylbutan-2-yl)benzamide
PubChem CID16771675
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name4-amino-2-chloro-N-(2-methylbutan-2-yl)benzamide
SMILESCCC(C)(C)NC(=O)c1ccc(N)cc1Cl
InChIInChI=1S/C12H17ClN2O/c1-4-12(2,3)15-11(16)9-6-5-8(14)7-10(9)13/h5-7H,4,14H2,1-3H3,(H,15,16)
InChIKeyOKZWALVNLSMRLX-UHFFFAOYSA-N
XLogP2.84
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 52.84
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-(1-hydroxy-2-methylbutan-2-yl)benzamide
CID 64549490
4-amino-2-chloro-N-(1-methoxy-2-methylpropan-2-yl)benzamide
CID 115738829
4-amino-2-chloro-N-(1-methoxy-2-methylpropan-2-yl)benzamide;hydrochloride
CID 119760977
4-[(3-aminobenzoyl)amino]-2-chloro-N-(2-methylbutan-2-yl)benzamide;hydrochloride
CID 119738309
5-amino-2-chloro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 43498518
5-amino-2-methoxy-N-(2-methylbutan-2-yl)benzamide
CID 61091450
4-amino-2-chloro-N-ethylbenzamide;hydrochloride
CID 47000809
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
4-amino-2-chloro-N-(2-ethyl-2-methylsulfanylbutyl)benzamide
CID 103812552
2-amino-5-chloro-N-(2-methylbutan-2-yl)pyridine-4-carboxamide
CID 114921690
2-(4-amino-2-chlorophenyl)sulfanyl-N-(2-methylbutan-2-yl)acetamide
CID 43305275

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-chloro-N-(2-methylbutan-2-yl)benzamide?
The IUPAC name of 4-amino-2-chloro-N-(2-methylbutan-2-yl)benzamide (CID 16771675) is 4-amino-2-chloro-N-(2-methylbutan-2-yl)benzamide.
What is the SMILES notation for 4-amino-2-chloro-N-(2-methylbutan-2-yl)benzamide?
The canonical SMILES for 4-amino-2-chloro-N-(2-methylbutan-2-yl)benzamide is CCC(C)(C)NC(=O)c1ccc(N)cc1Cl.
What is the InChIKey of 4-amino-2-chloro-N-(2-methylbutan-2-yl)benzamide?
The InChIKey is OKZWALVNLSMRLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-4-12(2,3)15-11(16)9-6-5-8(14)7-10(9)13/h5-7H,4,14H2,1-3H3,(H,15,16).
What are the key properties of 4-amino-2-chloro-N-(2-methylbutan-2-yl)benzamide?
4-amino-2-chloro-N-(2-methylbutan-2-yl)benzamide has a molecular weight of 240.73 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-chloro-N-(2-methylbutan-2-yl)benzamide is sourced from PubChem (CID 16771675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).