N-(2-amino-5-chlorophenyl)-2,5-dimethylbenzamide

C15H15ClN2O — CID 18072338

IUPACN-(2-amino-5-chlorophenyl)-2,5-dimethylbenzamide
SMILESCc1ccc(C)c(C(=O)Nc2cc(Cl)ccc2N)c1
InChIInChI=1S/C15H15ClN2O/c1-9-3-4-10(2)12(7-9)15(19)18-14-8-11(16)5-6-13(14)17/h3-8H,17H2,1-2H3,(H,18,19)
InChIKeyOKLAUGGDYHACQS-UHFFFAOYSA-N
MW274.75 g/mol
LogP3.79
Rot. Bonds2

About N-(2-amino-5-chlorophenyl)-2,5-dimethylbenzamide

N-(2-amino-5-chlorophenyl)-2,5-dimethylbenzamide (PubChem CID 18072338) has the molecular formula C15H15ClN2O and a molecular weight of 274.75 g/mol. Its IUPAC name is N-(2-amino-5-chlorophenyl)-2,5-dimethylbenzamide.

Molecular Properties

Compound NameN-(2-amino-5-chlorophenyl)-2,5-dimethylbenzamide
PubChem CID18072338
Molecular FormulaC15H15ClN2O
Molecular Weight274.75 g/mol
Exact Mass274.09
IUPAC NameN-(2-amino-5-chlorophenyl)-2,5-dimethylbenzamide
SMILESCc1ccc(C)c(C(=O)Nc2cc(Cl)ccc2N)c1
InChIInChI=1S/C15H15ClN2O/c1-9-3-4-10(2)12(7-9)15(19)18-14-8-11(16)5-6-13(14)17/h3-8H,17H2,1-2H3,(H,18,19)
InChIKeyOKLAUGGDYHACQS-UHFFFAOYSA-N
XLogP3.79
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 53.79
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-(2-amino-5-chlorophenyl)-5-chloro-2-methylbenzamide
CID 82880207
N-(2-amino-5-chlorophenyl)-5-bromo-2-methylbenzamide
CID 65306711
N-(2-amino-5-fluorophenyl)-5-chloro-2-methylbenzamide
CID 82881025
2-amino-N-(2-bromo-4-chlorophenyl)-5-methylbenzamide
CID 81262086
N-(2-chloro-4-methylphenyl)-2,5-dimethylbenzamide
CID 2549224
2-amino-5-chloro-N-(2-chloro-4-methylphenyl)benzamide
CID 28967454
N-(2-amino-4-chlorophenyl)-2-bromo-5-methylbenzamide
CID 81109928
N-(2-amino-5-chlorophenyl)-3-chloro-2-methylbenzamide
CID 107095714
N-(2-amino-5-chlorophenyl)-3-fluoro-4-methylbenzamide
CID 16771232
N-(2-amino-5-methylphenyl)-2-hydroxy-5-methylbenzamide
CID 112557255
N-(2-chlorophenyl)-2,5-dimethylbenzamide
CID 925340
N-(5-chloro-2-fluorophenyl)-2-fluoro-4-methylbenzamide
CID 79770803

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-chlorophenyl)-2,5-dimethylbenzamide?
The IUPAC name of N-(2-amino-5-chlorophenyl)-2,5-dimethylbenzamide (CID 18072338) is N-(2-amino-5-chlorophenyl)-2,5-dimethylbenzamide.
What is the SMILES notation for N-(2-amino-5-chlorophenyl)-2,5-dimethylbenzamide?
The canonical SMILES for N-(2-amino-5-chlorophenyl)-2,5-dimethylbenzamide is Cc1ccc(C)c(C(=O)Nc2cc(Cl)ccc2N)c1.
What is the InChIKey of N-(2-amino-5-chlorophenyl)-2,5-dimethylbenzamide?
The InChIKey is OKLAUGGDYHACQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O/c1-9-3-4-10(2)12(7-9)15(19)18-14-8-11(16)5-6-13(14)17/h3-8H,17H2,1-2H3,(H,18,19).
What are the key properties of N-(2-amino-5-chlorophenyl)-2,5-dimethylbenzamide?
N-(2-amino-5-chlorophenyl)-2,5-dimethylbenzamide has a molecular weight of 274.75 g/mol, XLogP of 3.79, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-chlorophenyl)-2,5-dimethylbenzamide is sourced from PubChem (CID 18072338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).