2-amino-4-chloro-N-propylbenzamide

C10H13ClN2O — CID 16777608

IUPAC2-amino-4-chloro-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(Cl)cc1N
InChIInChI=1S/C10H13ClN2O/c1-2-5-13-10(14)8-4-3-7(11)6-9(8)12/h3-4,6H,2,5,12H2,1H3,(H,13,14)
InChIKeyANGDOQGIJBNKFH-UHFFFAOYSA-N
MW212.68 g/mol
LogP2.06
Rot. Bonds3

About 2-amino-4-chloro-N-propylbenzamide

2-amino-4-chloro-N-propylbenzamide (PubChem CID 16777608) has the molecular formula C10H13ClN2O and a molecular weight of 212.68 g/mol. Its IUPAC name is 2-amino-4-chloro-N-propylbenzamide.

Molecular Properties

Compound Name2-amino-4-chloro-N-propylbenzamide
PubChem CID16777608
Molecular FormulaC10H13ClN2O
Molecular Weight212.68 g/mol
Exact Mass212.07
IUPAC Name2-amino-4-chloro-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(Cl)cc1N
InChIInChI=1S/C10H13ClN2O/c1-2-5-13-10(14)8-4-3-7(11)6-9(8)12/h3-4,6H,2,5,12H2,1H3,(H,13,14)
InChIKeyANGDOQGIJBNKFH-UHFFFAOYSA-N
XLogP2.06
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 52.06
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 2-amino-4-chloro-N-propylbenzamide?
The IUPAC name of 2-amino-4-chloro-N-propylbenzamide (CID 16777608) is 2-amino-4-chloro-N-propylbenzamide.
What is the SMILES notation for 2-amino-4-chloro-N-propylbenzamide?
The canonical SMILES for 2-amino-4-chloro-N-propylbenzamide is CCCNC(=O)c1ccc(Cl)cc1N.
What is the InChIKey of 2-amino-4-chloro-N-propylbenzamide?
The InChIKey is ANGDOQGIJBNKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O/c1-2-5-13-10(14)8-4-3-7(11)6-9(8)12/h3-4,6H,2,5,12H2,1H3,(H,13,14).
What are the key properties of 2-amino-4-chloro-N-propylbenzamide?
2-amino-4-chloro-N-propylbenzamide has a molecular weight of 212.68 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-chloro-N-propylbenzamide is sourced from PubChem (CID 16777608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).