5-amino-2-chloro-N-ethyl-N-propan-2-ylbenzamide

C12H17ClN2O — CID 43265291

IUPAC5-amino-2-chloro-N-ethyl-N-propan-2-ylbenzamide
SMILESCCN(C(=O)c1cc(N)ccc1Cl)C(C)C
InChIInChI=1S/C12H17ClN2O/c1-4-15(8(2)3)12(16)10-7-9(14)5-6-11(10)13/h5-8H,4,14H2,1-3H3
InChIKeyZIOOQQJCBHIGRE-UHFFFAOYSA-N
MW240.73 g/mol
LogP2.79
Rot. Bonds3

About 5-amino-2-chloro-N-ethyl-N-propan-2-ylbenzamide

5-amino-2-chloro-N-ethyl-N-propan-2-ylbenzamide (PubChem CID 43265291) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 5-amino-2-chloro-N-ethyl-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name5-amino-2-chloro-N-ethyl-N-propan-2-ylbenzamide
PubChem CID43265291
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name5-amino-2-chloro-N-ethyl-N-propan-2-ylbenzamide
SMILESCCN(C(=O)c1cc(N)ccc1Cl)C(C)C
InChIInChI=1S/C12H17ClN2O/c1-4-15(8(2)3)12(16)10-7-9(14)5-6-11(10)13/h5-8H,4,14H2,1-3H3
InChIKeyZIOOQQJCBHIGRE-UHFFFAOYSA-N
XLogP2.79
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-chloro-N-ethyl-N-propan-2-ylbenzamide?
The IUPAC name of 5-amino-2-chloro-N-ethyl-N-propan-2-ylbenzamide (CID 43265291) is 5-amino-2-chloro-N-ethyl-N-propan-2-ylbenzamide.
What is the SMILES notation for 5-amino-2-chloro-N-ethyl-N-propan-2-ylbenzamide?
The canonical SMILES for 5-amino-2-chloro-N-ethyl-N-propan-2-ylbenzamide is CCN(C(=O)c1cc(N)ccc1Cl)C(C)C.
What is the InChIKey of 5-amino-2-chloro-N-ethyl-N-propan-2-ylbenzamide?
The InChIKey is ZIOOQQJCBHIGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-4-15(8(2)3)12(16)10-7-9(14)5-6-11(10)13/h5-8H,4,14H2,1-3H3.
What are the key properties of 5-amino-2-chloro-N-ethyl-N-propan-2-ylbenzamide?
5-amino-2-chloro-N-ethyl-N-propan-2-ylbenzamide has a molecular weight of 240.73 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-chloro-N-ethyl-N-propan-2-ylbenzamide is sourced from PubChem (CID 43265291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).