3-amino-6-tert-butyl-2-chloro-N-ethylbenzamide

C13H19ClN2O — CID 67614852

IUPAC3-amino-6-tert-butyl-2-chloro-N-ethylbenzamide
SMILESCCNC(=O)c1c(C(C)(C)C)ccc(N)c1Cl
InChIInChI=1S/C13H19ClN2O/c1-5-16-12(17)10-8(13(2,3)4)6-7-9(15)11(10)14/h6-7H,5,15H2,1-4H3,(H,16,17)
InChIKeyPHBDSGGSYBIECG-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.97
Rot. Bonds2

About 3-amino-6-tert-butyl-2-chloro-N-ethylbenzamide

3-amino-6-tert-butyl-2-chloro-N-ethylbenzamide (PubChem CID 67614852) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 3-amino-6-tert-butyl-2-chloro-N-ethylbenzamide.

Molecular Properties

Compound Name3-amino-6-tert-butyl-2-chloro-N-ethylbenzamide
PubChem CID67614852
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name3-amino-6-tert-butyl-2-chloro-N-ethylbenzamide
SMILESCCNC(=O)c1c(C(C)(C)C)ccc(N)c1Cl
InChIInChI=1S/C13H19ClN2O/c1-5-16-12(17)10-8(13(2,3)4)6-7-9(15)11(10)14/h6-7H,5,15H2,1-4H3,(H,16,17)
InChIKeyPHBDSGGSYBIECG-UHFFFAOYSA-N
XLogP2.97
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.97
H-Bond Donors ≤ 52
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 3-amino-6-tert-butyl-2-chloro-N-ethylbenzamide?
The IUPAC name of 3-amino-6-tert-butyl-2-chloro-N-ethylbenzamide (CID 67614852) is 3-amino-6-tert-butyl-2-chloro-N-ethylbenzamide.
What is the SMILES notation for 3-amino-6-tert-butyl-2-chloro-N-ethylbenzamide?
The canonical SMILES for 3-amino-6-tert-butyl-2-chloro-N-ethylbenzamide is CCNC(=O)c1c(C(C)(C)C)ccc(N)c1Cl.
What is the InChIKey of 3-amino-6-tert-butyl-2-chloro-N-ethylbenzamide?
The InChIKey is PHBDSGGSYBIECG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-5-16-12(17)10-8(13(2,3)4)6-7-9(15)11(10)14/h6-7H,5,15H2,1-4H3,(H,16,17).
What are the key properties of 3-amino-6-tert-butyl-2-chloro-N-ethylbenzamide?
3-amino-6-tert-butyl-2-chloro-N-ethylbenzamide has a molecular weight of 254.76 g/mol, XLogP of 2.97, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-tert-butyl-2-chloro-N-ethylbenzamide is sourced from PubChem (CID 67614852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).