4-amino-3,5-dichloro-N-(5-chloro-2-methylphenyl)benzamide

C14H11Cl3N2O — CID 82833124

IUPAC4-amino-3,5-dichloro-N-(5-chloro-2-methylphenyl)benzamide
SMILESCc1ccc(Cl)cc1NC(=O)c1cc(Cl)c(N)c(Cl)c1
InChIInChI=1S/C14H11Cl3N2O/c1-7-2-3-9(15)6-12(7)19-14(20)8-4-10(16)13(18)11(17)5-8/h2-6H,18H2,1H3,(H,19,20)
InChIKeyYOVIKKVDJWDPDC-UHFFFAOYSA-N
MW329.61 g/mol
LogP4.79
Rot. Bonds2

About 4-amino-3,5-dichloro-N-(5-chloro-2-methylphenyl)benzamide

4-amino-3,5-dichloro-N-(5-chloro-2-methylphenyl)benzamide (PubChem CID 82833124) has the molecular formula C14H11Cl3N2O and a molecular weight of 329.61 g/mol. Its IUPAC name is 4-amino-3,5-dichloro-N-(5-chloro-2-methylphenyl)benzamide.

Molecular Properties

Compound Name4-amino-3,5-dichloro-N-(5-chloro-2-methylphenyl)benzamide
PubChem CID82833124
Molecular FormulaC14H11Cl3N2O
Molecular Weight329.61 g/mol
Exact Mass327.99
IUPAC Name4-amino-3,5-dichloro-N-(5-chloro-2-methylphenyl)benzamide
SMILESCc1ccc(Cl)cc1NC(=O)c1cc(Cl)c(N)c(Cl)c1
InChIInChI=1S/C14H11Cl3N2O/c1-7-2-3-9(15)6-12(7)19-14(20)8-4-10(16)13(18)11(17)5-8/h2-6H,18H2,1H3,(H,19,20)
InChIKeyYOVIKKVDJWDPDC-UHFFFAOYSA-N
XLogP4.79
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.61
LogP ≤ 54.79
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

N-(5-chloro-2-methylphenyl)-3,5-dimethylbenzamide
CID 918666
4-[(5-chloro-2-methylphenyl)carbamoyl]benzoic acid
CID 43386540
4-amino-3,5-dichloro-N-(2,3-dimethylphenyl)benzamide
CID 82826777
4-amino-3,5-dichloro-N-(2-chloro-4-methylphenyl)benzamide
CID 82832914
4-amino-2-chloro-N-(5-chloro-2-methylphenyl)benzamide
CID 24689889
N-(5-chloro-2-methylphenyl)-3-methylbenzamide
CID 686530
4-amino-3,5-dichloro-N-(2,6-dichloro-3-methylphenyl)benzamide
CID 82811367
N-(5-chloro-2-methylphenyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 43333228
4-amino-N-(2-bromo-3-methylphenyl)-3,5-dichlorobenzamide
CID 82833101
4-amino-3,5-dichloro-N-(2-hydroxy-3,5-dimethylphenyl)benzamide
CID 82814045
4-amino-3,5-dichloro-N-(2-chlorophenyl)benzamide
CID 82832841
3,5-diamino-N-(4-chloro-2-methylphenyl)benzamide
CID 61093328

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,5-dichloro-N-(5-chloro-2-methylphenyl)benzamide?
The IUPAC name of 4-amino-3,5-dichloro-N-(5-chloro-2-methylphenyl)benzamide (CID 82833124) is 4-amino-3,5-dichloro-N-(5-chloro-2-methylphenyl)benzamide.
What is the SMILES notation for 4-amino-3,5-dichloro-N-(5-chloro-2-methylphenyl)benzamide?
The canonical SMILES for 4-amino-3,5-dichloro-N-(5-chloro-2-methylphenyl)benzamide is Cc1ccc(Cl)cc1NC(=O)c1cc(Cl)c(N)c(Cl)c1.
What is the InChIKey of 4-amino-3,5-dichloro-N-(5-chloro-2-methylphenyl)benzamide?
The InChIKey is YOVIKKVDJWDPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl3N2O/c1-7-2-3-9(15)6-12(7)19-14(20)8-4-10(16)13(18)11(17)5-8/h2-6H,18H2,1H3,(H,19,20).
What are the key properties of 4-amino-3,5-dichloro-N-(5-chloro-2-methylphenyl)benzamide?
4-amino-3,5-dichloro-N-(5-chloro-2-methylphenyl)benzamide has a molecular weight of 329.61 g/mol, XLogP of 4.79, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,5-dichloro-N-(5-chloro-2-methylphenyl)benzamide is sourced from PubChem (CID 82833124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).