2-chloro-N-formylbenzamide

C8H6ClNO2 — CID 87771443

IUPAC2-chloro-N-formylbenzamide
SMILESO=CNC(=O)c1ccccc1Cl
InChIInChI=1S/C8H6ClNO2/c9-7-4-2-1-3-6(7)8(12)10-5-11/h1-5H,(H,10,11,12)
InChIKeyCZZQDUNDCRUPOR-UHFFFAOYSA-N
MW183.59 g/mol
LogP1.23
Rot. Bonds2

About 2-chloro-N-formylbenzamide

2-chloro-N-formylbenzamide (PubChem CID 87771443) has the molecular formula C8H6ClNO2 and a molecular weight of 183.59 g/mol. Its IUPAC name is 2-chloro-N-formylbenzamide.

Molecular Properties

Compound Name2-chloro-N-formylbenzamide
PubChem CID87771443
Molecular FormulaC8H6ClNO2
Molecular Weight183.59 g/mol
Exact Mass183.01
IUPAC Name2-chloro-N-formylbenzamide
SMILESO=CNC(=O)c1ccccc1Cl
InChIInChI=1S/C8H6ClNO2/c9-7-4-2-1-3-6(7)8(12)10-5-11/h1-5H,(H,10,11,12)
InChIKeyCZZQDUNDCRUPOR-UHFFFAOYSA-N
XLogP1.23
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.59
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2,6-dichloro-N'-(2-chlorobenzoyl)benzohydrazide
CID 78774908
[(2-chlorobenzoyl)amino]-(diaminomethylidene)azanium
CID 6343021
N-carbamothioyl-2-chlorobenzamide
CID 3909253
2-chloro-N-sulfamoylbenzamide
CID 54547559
2-chloro-N-[(E)-4-chlorobut-2-enyl]benzamide
CID 81429750
2-chloro-N-[(2R)-4-methylpentan-2-yl]benzamide
CID 7311900
2-[(2-chlorobenzoyl)amino]propanediamide
CID 31062751
2-chloro-N-(2,2,2-trichloro-1-hydroxyethyl)benzamide
CID 3574843
3-[(2-chlorobenzoyl)amino]-1,1-diethylurea
CID 14173554
(2S)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoate
CID 1248820
2-chloro-N-cyclopentylbenzamide
CID 669043
N-(2-aminophenyl)-2-chlorobenzamide
CID 684680

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-formylbenzamide?
The IUPAC name of 2-chloro-N-formylbenzamide (CID 87771443) is 2-chloro-N-formylbenzamide.
What is the SMILES notation for 2-chloro-N-formylbenzamide?
The canonical SMILES for 2-chloro-N-formylbenzamide is O=CNC(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-formylbenzamide?
The InChIKey is CZZQDUNDCRUPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClNO2/c9-7-4-2-1-3-6(7)8(12)10-5-11/h1-5H,(H,10,11,12).
What are the key properties of 2-chloro-N-formylbenzamide?
2-chloro-N-formylbenzamide has a molecular weight of 183.59 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-formylbenzamide is sourced from PubChem (CID 87771443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).