3-chloro-4-fluorobenzamide

C7H5ClFNO — CID 2736520

IUPAC3-chloro-4-fluorobenzamide
SMILESNC(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C7H5ClFNO/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3H,(H2,10,11)
InChIKeyAEYMQEMBMKCNEG-UHFFFAOYSA-N
MW173.57 g/mol
LogP1.58
Rot. Bonds1

About 3-chloro-4-fluorobenzamide

3-chloro-4-fluorobenzamide (PubChem CID 2736520) has the molecular formula C7H5ClFNO and a molecular weight of 173.57 g/mol. Its IUPAC name is 3-chloro-4-fluorobenzamide.

Molecular Properties

Compound Name3-chloro-4-fluorobenzamide
PubChem CID2736520
Molecular FormulaC7H5ClFNO
Molecular Weight173.57 g/mol
Exact Mass173.00
IUPAC Name3-chloro-4-fluorobenzamide
SMILESNC(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C7H5ClFNO/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3H,(H2,10,11)
InChIKeyAEYMQEMBMKCNEG-UHFFFAOYSA-N
XLogP1.58
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.57
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-chloro-4-fluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,6-Dichlorobenzamide
CID 16183
2-Chlorobenzamide
CID 69111
2,6-Difluorobenzamide
CID 87439
4-Fluorobenzamide
CID 71572
2-Fluorobenzamide
CID 67964
3-Chlorobenzamide
CID 69254
4-Chlorobenzenehydroxamic acid
CID 587178
4-Chlorobenzohydrazide
CID 10816
4-Chlorobenzamide
CID 12084
2,4-Dichlorobenzamide
CID 75556
3,4-Difluorobenzamide
CID 522832
3-Chlorobenzohydrazide
CID 74289

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-fluorobenzamide?
The IUPAC name of 3-chloro-4-fluorobenzamide (CID 2736520) is 3-chloro-4-fluorobenzamide.
What is the SMILES notation for 3-chloro-4-fluorobenzamide?
The canonical SMILES for 3-chloro-4-fluorobenzamide is NC(=O)c1ccc(F)c(Cl)c1.
What is the InChIKey of 3-chloro-4-fluorobenzamide?
The InChIKey is AEYMQEMBMKCNEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClFNO/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3H,(H2,10,11).
What are the key properties of 3-chloro-4-fluorobenzamide?
3-chloro-4-fluorobenzamide has a molecular weight of 173.57 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-fluorobenzamide is sourced from PubChem (CID 2736520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).