4-amino-3-chloro-N-methylbenzamide

C8H9ClN2O — CID 54157999

IUPAC4-amino-3-chloro-N-methylbenzamide
SMILESCNC(=O)c1ccc(N)c(Cl)c1
InChIInChI=1S/C8H9ClN2O/c1-11-8(12)5-2-3-7(10)6(9)4-5/h2-4H,10H2,1H3,(H,11,12)
InChIKeyOMKUCXZFXYVYJX-UHFFFAOYSA-N
MW184.63 g/mol
LogP1.28
Rot. Bonds1

About 4-amino-3-chloro-N-methylbenzamide

4-amino-3-chloro-N-methylbenzamide (PubChem CID 54157999) has the molecular formula C8H9ClN2O and a molecular weight of 184.63 g/mol. Its IUPAC name is 4-amino-3-chloro-N-methylbenzamide.

Molecular Properties

Compound Name4-amino-3-chloro-N-methylbenzamide
PubChem CID54157999
Molecular FormulaC8H9ClN2O
Molecular Weight184.63 g/mol
Exact Mass184.04
IUPAC Name4-amino-3-chloro-N-methylbenzamide
SMILESCNC(=O)c1ccc(N)c(Cl)c1
InChIInChI=1S/C8H9ClN2O/c1-11-8(12)5-2-3-7(10)6(9)4-5/h2-4H,10H2,1H3,(H,11,12)
InChIKeyOMKUCXZFXYVYJX-UHFFFAOYSA-N
XLogP1.28
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.63
LogP ≤ 51.28
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 4-amino-3-chloro-N-methylbenzamide?
The IUPAC name of 4-amino-3-chloro-N-methylbenzamide (CID 54157999) is 4-amino-3-chloro-N-methylbenzamide.
What is the SMILES notation for 4-amino-3-chloro-N-methylbenzamide?
The canonical SMILES for 4-amino-3-chloro-N-methylbenzamide is CNC(=O)c1ccc(N)c(Cl)c1.
What is the InChIKey of 4-amino-3-chloro-N-methylbenzamide?
The InChIKey is OMKUCXZFXYVYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O/c1-11-8(12)5-2-3-7(10)6(9)4-5/h2-4H,10H2,1H3,(H,11,12).
What are the key properties of 4-amino-3-chloro-N-methylbenzamide?
4-amino-3-chloro-N-methylbenzamide has a molecular weight of 184.63 g/mol, XLogP of 1.28, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-chloro-N-methylbenzamide is sourced from PubChem (CID 54157999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).