4-amino-2-chloro-N,N-diethylbenzamide

C11H15ClN2O — CID 16770890

IUPAC4-amino-2-chloro-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(N)cc1Cl
InChIInChI=1S/C11H15ClN2O/c1-3-14(4-2)11(15)9-6-5-8(13)7-10(9)12/h5-7H,3-4,13H2,1-2H3
InChIKeyRJFITOJPVXDCPN-UHFFFAOYSA-N
MW226.71 g/mol
LogP2.40
Rot. Bonds3

About 4-amino-2-chloro-N,N-diethylbenzamide

4-amino-2-chloro-N,N-diethylbenzamide (PubChem CID 16770890) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is 4-amino-2-chloro-N,N-diethylbenzamide.

Molecular Properties

Compound Name4-amino-2-chloro-N,N-diethylbenzamide
PubChem CID16770890
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC Name4-amino-2-chloro-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(N)cc1Cl
InChIInChI=1S/C11H15ClN2O/c1-3-14(4-2)11(15)9-6-5-8(13)7-10(9)12/h5-7H,3-4,13H2,1-2H3
InChIKeyRJFITOJPVXDCPN-UHFFFAOYSA-N
XLogP2.40
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 52.40
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 4-amino-2-chloro-N,N-diethylbenzamide?
The IUPAC name of 4-amino-2-chloro-N,N-diethylbenzamide (CID 16770890) is 4-amino-2-chloro-N,N-diethylbenzamide.
What is the SMILES notation for 4-amino-2-chloro-N,N-diethylbenzamide?
The canonical SMILES for 4-amino-2-chloro-N,N-diethylbenzamide is CCN(CC)C(=O)c1ccc(N)cc1Cl.
What is the InChIKey of 4-amino-2-chloro-N,N-diethylbenzamide?
The InChIKey is RJFITOJPVXDCPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O/c1-3-14(4-2)11(15)9-6-5-8(13)7-10(9)12/h5-7H,3-4,13H2,1-2H3.
What are the key properties of 4-amino-2-chloro-N,N-diethylbenzamide?
4-amino-2-chloro-N,N-diethylbenzamide has a molecular weight of 226.71 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-chloro-N,N-diethylbenzamide is sourced from PubChem (CID 16770890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).