N-(2-amino-5-chlorophenyl)-N,3,5-trimethylbenzamide

C16H17ClN2O — CID 107465748

IUPACN-(2-amino-5-chlorophenyl)-N,3,5-trimethylbenzamide
SMILESCc1cc(C)cc(C(=O)N(C)c2cc(Cl)ccc2N)c1
InChIInChI=1S/C16H17ClN2O/c1-10-6-11(2)8-12(7-10)16(20)19(3)15-9-13(17)4-5-14(15)18/h4-9H,18H2,1-3H3
InChIKeyWAAFKKLWELKSHZ-UHFFFAOYSA-N
MW288.78 g/mol
LogP3.82
Rot. Bonds2

About N-(2-amino-5-chlorophenyl)-N,3,5-trimethylbenzamide

N-(2-amino-5-chlorophenyl)-N,3,5-trimethylbenzamide (PubChem CID 107465748) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is N-(2-amino-5-chlorophenyl)-N,3,5-trimethylbenzamide.

Molecular Properties

Compound NameN-(2-amino-5-chlorophenyl)-N,3,5-trimethylbenzamide
PubChem CID107465748
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC NameN-(2-amino-5-chlorophenyl)-N,3,5-trimethylbenzamide
SMILESCc1cc(C)cc(C(=O)N(C)c2cc(Cl)ccc2N)c1
InChIInChI=1S/C16H17ClN2O/c1-10-6-11(2)8-12(7-10)16(20)19(3)15-9-13(17)4-5-14(15)18/h4-9H,18H2,1-3H3
InChIKeyWAAFKKLWELKSHZ-UHFFFAOYSA-N
XLogP3.82
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 53.82
H-Bond Donors ≤ 51
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)-N-methylbenzamide
CID 107465675
N-(2-amino-5-chlorophenyl)-3-hydroxy-N-methylbenzamide
CID 107465613
N-(2-amino-5-chlorophenyl)-N-methylacetamide
CID 107465702
N-(2-amino-5-chlorophenyl)-3-fluoro-4-methoxy-N-methylbenzamide
CID 107465720
N-(2-amino-5-chlorophenyl)-2,3,4-trifluoro-N-methylbenzamide
CID 107465510
N-(2-amino-5-chlorophenyl)-2-hydroxy-N,3-dimethylbenzamide
CID 107465659
N-(2-amino-5-chlorophenyl)-N,2,2-trimethylpropanamide
CID 107465612
N-(3-amino-4-pyridinyl)-N,3,5-trimethylbenzamide
CID 61359205
N-(2-amino-5-chlorophenyl)-4-fluoro-2-hydroxy-N-methylbenzamide
CID 107465812
N-(2-amino-5-chlorophenyl)-2-methoxy-N-methylbenzamide
CID 107465525
1-(2-amino-5-chlorophenyl)-3-tert-butyl-1-methylurea
CID 107465986
N-(2-amino-5-chlorophenyl)-N,4-dimethylpentanamide
CID 107465588

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-chlorophenyl)-N,3,5-trimethylbenzamide?
The IUPAC name of N-(2-amino-5-chlorophenyl)-N,3,5-trimethylbenzamide (CID 107465748) is N-(2-amino-5-chlorophenyl)-N,3,5-trimethylbenzamide.
What is the SMILES notation for N-(2-amino-5-chlorophenyl)-N,3,5-trimethylbenzamide?
The canonical SMILES for N-(2-amino-5-chlorophenyl)-N,3,5-trimethylbenzamide is Cc1cc(C)cc(C(=O)N(C)c2cc(Cl)ccc2N)c1.
What is the InChIKey of N-(2-amino-5-chlorophenyl)-N,3,5-trimethylbenzamide?
The InChIKey is WAAFKKLWELKSHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c1-10-6-11(2)8-12(7-10)16(20)19(3)15-9-13(17)4-5-14(15)18/h4-9H,18H2,1-3H3.
What are the key properties of N-(2-amino-5-chlorophenyl)-N,3,5-trimethylbenzamide?
N-(2-amino-5-chlorophenyl)-N,3,5-trimethylbenzamide has a molecular weight of 288.78 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-chlorophenyl)-N,3,5-trimethylbenzamide is sourced from PubChem (CID 107465748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).