3-amino-4,5-dichloro-N-phenylbenzamide

C13H10Cl2N2O — CID 61090142

IUPAC3-amino-4,5-dichloro-N-phenylbenzamide
SMILESNc1cc(C(=O)Nc2ccccc2)cc(Cl)c1Cl
InChIInChI=1S/C13H10Cl2N2O/c14-10-6-8(7-11(16)12(10)15)13(18)17-9-4-2-1-3-5-9/h1-7H,16H2,(H,17,18)
InChIKeyOKYSEFWTTRBTDW-UHFFFAOYSA-N
MW281.14 g/mol
LogP3.83
Rot. Bonds2

About 3-amino-4,5-dichloro-N-phenylbenzamide

3-amino-4,5-dichloro-N-phenylbenzamide (PubChem CID 61090142) has the molecular formula C13H10Cl2N2O and a molecular weight of 281.14 g/mol. Its IUPAC name is 3-amino-4,5-dichloro-N-phenylbenzamide.

Molecular Properties

Compound Name3-amino-4,5-dichloro-N-phenylbenzamide
PubChem CID61090142
Molecular FormulaC13H10Cl2N2O
Molecular Weight281.14 g/mol
Exact Mass280.02
IUPAC Name3-amino-4,5-dichloro-N-phenylbenzamide
SMILESNc1cc(C(=O)Nc2ccccc2)cc(Cl)c1Cl
InChIInChI=1S/C13H10Cl2N2O/c14-10-6-8(7-11(16)12(10)15)13(18)17-9-4-2-1-3-5-9/h1-7H,16H2,(H,17,18)
InChIKeyOKYSEFWTTRBTDW-UHFFFAOYSA-N
XLogP3.83
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.14
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4,5-dichloro-N-(3-chlorophenyl)benzamide
CID 61090012
3-amino-4,5-dichloro-N-(4-iodophenyl)benzamide
CID 61094545
3-amino-4,5-dichloro-N-(3-ethynylphenyl)benzamide
CID 61117105
3-amino-4,5-dichloro-N-(2-methylphenyl)benzamide
CID 61090802
3-amino-N-(1,3-benzodioxol-5-yl)-4,5-dichlorobenzamide
CID 61092953
3-amino-N-(1H-benzimidazol-2-yl)-4,5-dichlorobenzamide
CID 63565379
N-(4-anilinophenyl)-3,5-dichlorobenzamide
CID 17133461
3-amino-N-(5-bromo-2-chlorophenyl)-4,5-dichlorobenzamide
CID 62915199
3-amino-4,5-dichloro-N-(2-phenylpropyl)benzamide
CID 61113200
3-amino-4,5-dichloro-N-(2,4,5-trifluorophenyl)benzamide
CID 62815869
3-amino-4,5-dichloro-N-(2,4-difluorophenyl)benzamide
CID 61090403
3-amino-4,5-dichlorobenzoic acid;hydrochloride
CID 91812481

Frequently Asked Questions

What is the IUPAC name of 3-amino-4,5-dichloro-N-phenylbenzamide?
The IUPAC name of 3-amino-4,5-dichloro-N-phenylbenzamide (CID 61090142) is 3-amino-4,5-dichloro-N-phenylbenzamide.
What is the SMILES notation for 3-amino-4,5-dichloro-N-phenylbenzamide?
The canonical SMILES for 3-amino-4,5-dichloro-N-phenylbenzamide is Nc1cc(C(=O)Nc2ccccc2)cc(Cl)c1Cl.
What is the InChIKey of 3-amino-4,5-dichloro-N-phenylbenzamide?
The InChIKey is OKYSEFWTTRBTDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N2O/c14-10-6-8(7-11(16)12(10)15)13(18)17-9-4-2-1-3-5-9/h1-7H,16H2,(H,17,18).
What are the key properties of 3-amino-4,5-dichloro-N-phenylbenzamide?
3-amino-4,5-dichloro-N-phenylbenzamide has a molecular weight of 281.14 g/mol, XLogP of 3.83, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4,5-dichloro-N-phenylbenzamide is sourced from PubChem (CID 61090142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).