4-chloro(13C)benzamide

C7H6ClNO — CID 175798194

IUPAC4-chloro(13C)benzamide
SMILESN[13C](=O)c1ccc(Cl)cc1
InChIInChI=1S/C7H6ClNO/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H2,9,10)/i7+1
InChIKeyBLNVISNJTIRAHF-CDYZYAPPSA-N
MW156.58 g/mol
LogP1.44
Rot. Bonds1

About 4-chloro(13C)benzamide

4-chloro(13C)benzamide (PubChem CID 175798194) has the molecular formula C7H6ClNO and a molecular weight of 156.58 g/mol. Its IUPAC name is 4-chloro(13C)benzamide.

Molecular Properties

Compound Name4-chloro(13C)benzamide
PubChem CID175798194
Molecular FormulaC7H6ClNO
Molecular Weight156.58 g/mol
Exact Mass156.02
IUPAC Name4-chloro(13C)benzamide
SMILESN[13C](=O)c1ccc(Cl)cc1
InChIInChI=1S/C7H6ClNO/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H2,9,10)/i7+1
InChIKeyBLNVISNJTIRAHF-CDYZYAPPSA-N
XLogP1.44
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.58
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-chlorobenzamide
CID 12084
4-[(4-chlorophenyl)carbamoylamino]benzamide
CID 730344
potassium;benzene-1,4-dicarboxamide;hydride
CID 174539787
4-[(4-chlorophenyl)sulfamoyl]benzamide
CID 27187051
[amino-(4-chlorophenyl)methylidene]azanium chloride
CID 10888750
4-[[2-(4-chlorophenyl)ethylamino]methyl]benzamide
CID 43232715
4-[[2-(4-chloroanilino)acetyl]amino]benzamide
CID 37474850
4-chloro(13C)benzoic acid
CID 66995527
1-(4-chlorophenyl)ethenamine
CID 122642948
chloromethane;4-fluorobenzamide
CID 158476805
4-[3-[(4-chlorobenzoyl)amino]prop-1-ynyl]benzamide
CID 90549768
4-chloro-3-[2-(4-chlorophenyl)acetyl]benzamide
CID 157465284

Frequently Asked Questions

What is the IUPAC name of 4-chloro(13C)benzamide?
The IUPAC name of 4-chloro(13C)benzamide (CID 175798194) is 4-chloro(13C)benzamide.
What is the SMILES notation for 4-chloro(13C)benzamide?
The canonical SMILES for 4-chloro(13C)benzamide is N[13C](=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro(13C)benzamide?
The InChIKey is BLNVISNJTIRAHF-CDYZYAPPSA-N. The full InChI is InChI=1S/C7H6ClNO/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H2,9,10)/i7+1.
What are the key properties of 4-chloro(13C)benzamide?
4-chloro(13C)benzamide has a molecular weight of 156.58 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro(13C)benzamide is sourced from PubChem (CID 175798194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).