4-methyl-N-(3,4,5-trichlorophenyl)benzamide

C14H10Cl3NO — CID 18739044

IUPAC4-methyl-N-(3,4,5-trichlorophenyl)benzamide
SMILESCc1ccc(C(=O)Nc2cc(Cl)c(Cl)c(Cl)c2)cc1
InChIInChI=1S/C14H10Cl3NO/c1-8-2-4-9(5-3-8)14(19)18-10-6-11(15)13(17)12(16)7-10/h2-7H,1H3,(H,18,19)
InChIKeyZTXHBUAUQGCLQR-UHFFFAOYSA-N
MW314.60 g/mol
LogP5.21
Rot. Bonds2

About 4-methyl-N-(3,4,5-trichlorophenyl)benzamide

4-methyl-N-(3,4,5-trichlorophenyl)benzamide (PubChem CID 18739044) has the molecular formula C14H10Cl3NO and a molecular weight of 314.60 g/mol. Its IUPAC name is 4-methyl-N-(3,4,5-trichlorophenyl)benzamide.

Molecular Properties

Compound Name4-methyl-N-(3,4,5-trichlorophenyl)benzamide
PubChem CID18739044
Molecular FormulaC14H10Cl3NO
Molecular Weight314.60 g/mol
Exact Mass312.98
IUPAC Name4-methyl-N-(3,4,5-trichlorophenyl)benzamide
SMILESCc1ccc(C(=O)Nc2cc(Cl)c(Cl)c(Cl)c2)cc1
InChIInChI=1S/C14H10Cl3NO/c1-8-2-4-9(5-3-8)14(19)18-10-6-11(15)13(17)12(16)7-10/h2-7H,1H3,(H,18,19)
InChIKeyZTXHBUAUQGCLQR-UHFFFAOYSA-N
XLogP5.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.60
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(3-chloro-4-methylphenyl)-4-methylbenzamide
CID 710602
N-(3,5-diformylphenyl)-4-methylbenzamide
CID 163216310
4-methyl-N-(2,3,5-trichloro-4-hydroxyphenyl)benzamide
CID 5209648
N-[4-[(4-acetamidophenyl)carbamoyl]phenyl]-4-methylbenzamide
CID 2223178
N-(4-methylphenyl)-4-[2-[4-[(4-methylphenyl)carbamoyl]phenyl]hydrazinyl]benzamide
CID 139337158
4-chloro-N-(3,5-dichloro-4-hydroxyphenyl)benzamide
CID 5119664
N-(3,5-dichloro-4-fluorophenyl)-4-(methylamino)benzamide
CID 107578422
3-bromo-4-chloro-N-(3,5-dimethylphenyl)benzamide
CID 107999218
3-chloro-4-methoxy-N-(4-methylphenyl)benzamide
CID 2976183
N-(5-bromo-6-chloro-3-pyridinyl)-4-methylbenzamide
CID 113267904
N-(3-hydroxy-4-methylphenyl)-4-methylbenzamide
CID 837218
4-methyl-N-(5-methyl-3-pyridinyl)benzamide
CID 110727246

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(3,4,5-trichlorophenyl)benzamide?
The IUPAC name of 4-methyl-N-(3,4,5-trichlorophenyl)benzamide (CID 18739044) is 4-methyl-N-(3,4,5-trichlorophenyl)benzamide.
What is the SMILES notation for 4-methyl-N-(3,4,5-trichlorophenyl)benzamide?
The canonical SMILES for 4-methyl-N-(3,4,5-trichlorophenyl)benzamide is Cc1ccc(C(=O)Nc2cc(Cl)c(Cl)c(Cl)c2)cc1.
What is the InChIKey of 4-methyl-N-(3,4,5-trichlorophenyl)benzamide?
The InChIKey is ZTXHBUAUQGCLQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl3NO/c1-8-2-4-9(5-3-8)14(19)18-10-6-11(15)13(17)12(16)7-10/h2-7H,1H3,(H,18,19).
What are the key properties of 4-methyl-N-(3,4,5-trichlorophenyl)benzamide?
4-methyl-N-(3,4,5-trichlorophenyl)benzamide has a molecular weight of 314.60 g/mol, XLogP of 5.21, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(3,4,5-trichlorophenyl)benzamide is sourced from PubChem (CID 18739044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).