CID 87724838

C14H12AsNO — CID 87724838

IUPAC—
SMILESCc1cccc(C(=O)Nc2ccc([As])cc2)c1
InChIInChI=1S/C14H12AsNO/c1-10-3-2-4-11(9-10)14(17)16-13-7-5-12(15)6-8-13/h2-9H,1H3,(H,16,17)
InChIKeyJYKAVQUIRMVUMO-UHFFFAOYSA-N
MW285.18 g/mol
LogP2.04
Rot. Bonds2

About CID 87724838

CID 87724838 (PubChem CID 87724838) has the molecular formula C14H12AsNO and a molecular weight of 285.18 g/mol.

Molecular Properties

Compound NameCID 87724838
PubChem CID87724838
Molecular FormulaC14H12AsNO
Molecular Weight285.18 g/mol
Exact Mass285.01
IUPAC Name—
SMILESCc1cccc(C(=O)Nc2ccc([As])cc2)c1
InChIInChI=1S/C14H12AsNO/c1-10-3-2-4-11(9-10)14(17)16-13-7-5-12(15)6-8-13/h2-9H,1H3,(H,16,17)
InChIKeyJYKAVQUIRMVUMO-UHFFFAOYSA-N
XLogP2.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.18
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(4-acetamidophenyl)-3-methylbenzamide
CID 730082
N-(4-formamidophenyl)-3-methylbenzamide
CID 168653169
3-methyl-N-[4-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]benzamide
CID 3426380
N-[4-[(1S)-1-hydroxyethyl]phenyl]-3-methylbenzamide
CID 93040828
ethyl 3-[4-[(3-methylbenzoyl)amino]anilino]-3-oxopropanoate
CID 17252370
N-[4-(2-formylhydrazinyl)phenyl]-3-methylbenzamide
CID 20661930
N-[4-(diethylamino)phenyl]-3-methylbenzamide
CID 835431
N-(3-acetamidophenyl)-3-methylbenzamide
CID 766081
3-methyl-N-[4-[(2-methylphenyl)carbamoyl]phenyl]benzamide
CID 23857052
3-methyl-N-[4-[(2-phenylacetyl)amino]phenyl]benzamide
CID 5343922
3-methyl-N-[4-(prop-2-enylamino)phenyl]benzamide
CID 112980083
2-iodo-N-[4-[(3-methylbenzoyl)amino]phenyl]benzamide
CID 1089815

Frequently Asked Questions

What is the IUPAC name of CID 87724838?
The IUPAC name of CID 87724838 (CID 87724838) is not available.
What is the SMILES notation for CID 87724838?
The canonical SMILES for CID 87724838 is Cc1cccc(C(=O)Nc2ccc([As])cc2)c1.
What is the InChIKey of CID 87724838?
The InChIKey is JYKAVQUIRMVUMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12AsNO/c1-10-3-2-4-11(9-10)14(17)16-13-7-5-12(15)6-8-13/h2-9H,1H3,(H,16,17).
What are the key properties of CID 87724838?
CID 87724838 has a molecular weight of 285.18 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87724838 is sourced from PubChem (CID 87724838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).