3-amino-4-chloro-N,N-dimethylbenzamide

C9H11ClN2O — CID 16785917

IUPAC3-amino-4-chloro-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(Cl)c(N)c1
InChIInChI=1S/C9H11ClN2O/c1-12(2)9(13)6-3-4-7(10)8(11)5-6/h3-5H,11H2,1-2H3
InChIKeyNMXZBISDUNEGQP-UHFFFAOYSA-N
MW198.65 g/mol
LogP1.62
Rot. Bonds1

About 3-amino-4-chloro-N,N-dimethylbenzamide

3-amino-4-chloro-N,N-dimethylbenzamide (PubChem CID 16785917) has the molecular formula C9H11ClN2O and a molecular weight of 198.65 g/mol. Its IUPAC name is 3-amino-4-chloro-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-amino-4-chloro-N,N-dimethylbenzamide
PubChem CID16785917
Molecular FormulaC9H11ClN2O
Molecular Weight198.65 g/mol
Exact Mass198.06
IUPAC Name3-amino-4-chloro-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(Cl)c(N)c1
InChIInChI=1S/C9H11ClN2O/c1-12(2)9(13)6-3-4-7(10)8(11)5-6/h3-5H,11H2,1-2H3
InChIKeyNMXZBISDUNEGQP-UHFFFAOYSA-N
XLogP1.62
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.65
LogP ≤ 51.62
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 3-amino-4-chloro-N,N-dimethylbenzamide?
The IUPAC name of 3-amino-4-chloro-N,N-dimethylbenzamide (CID 16785917) is 3-amino-4-chloro-N,N-dimethylbenzamide.
What is the SMILES notation for 3-amino-4-chloro-N,N-dimethylbenzamide?
The canonical SMILES for 3-amino-4-chloro-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(Cl)c(N)c1.
What is the InChIKey of 3-amino-4-chloro-N,N-dimethylbenzamide?
The InChIKey is NMXZBISDUNEGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O/c1-12(2)9(13)6-3-4-7(10)8(11)5-6/h3-5H,11H2,1-2H3.
What are the key properties of 3-amino-4-chloro-N,N-dimethylbenzamide?
3-amino-4-chloro-N,N-dimethylbenzamide has a molecular weight of 198.65 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-chloro-N,N-dimethylbenzamide is sourced from PubChem (CID 16785917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).