N-(4-anilinophenyl)-3,4-dimethylbenzamide

C21H20N2O — CID 843096

IUPACN-(4-anilinophenyl)-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(Nc3ccccc3)cc2)cc1C
InChIInChI=1S/C21H20N2O/c1-15-8-9-17(14-16(15)2)21(24)23-20-12-10-19(11-13-20)22-18-6-4-3-5-7-18/h3-14,22H,1-2H3,(H,23,24)
InChIKeySGHRTBGMKQDAQI-UHFFFAOYSA-N
MW316.40 g/mol
LogP5.30
Rot. Bonds4

About N-(4-anilinophenyl)-3,4-dimethylbenzamide

N-(4-anilinophenyl)-3,4-dimethylbenzamide (PubChem CID 843096) has the molecular formula C21H20N2O and a molecular weight of 316.40 g/mol. Its IUPAC name is N-(4-anilinophenyl)-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-(4-anilinophenyl)-3,4-dimethylbenzamide
PubChem CID843096
Molecular FormulaC21H20N2O
Molecular Weight316.40 g/mol
Exact Mass316.16
IUPAC NameN-(4-anilinophenyl)-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(Nc3ccccc3)cc2)cc1C
InChIInChI=1S/C21H20N2O/c1-15-8-9-17(14-16(15)2)21(24)23-20-12-10-19(11-13-20)22-18-6-4-3-5-7-18/h3-14,22H,1-2H3,(H,23,24)
InChIKeySGHRTBGMKQDAQI-UHFFFAOYSA-N
XLogP5.30
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.40
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-anilinophenyl)-3,4-dimethylbenzamide?
The IUPAC name of N-(4-anilinophenyl)-3,4-dimethylbenzamide (CID 843096) is N-(4-anilinophenyl)-3,4-dimethylbenzamide.
What is the SMILES notation for N-(4-anilinophenyl)-3,4-dimethylbenzamide?
The canonical SMILES for N-(4-anilinophenyl)-3,4-dimethylbenzamide is Cc1ccc(C(=O)Nc2ccc(Nc3ccccc3)cc2)cc1C.
What is the InChIKey of N-(4-anilinophenyl)-3,4-dimethylbenzamide?
The InChIKey is SGHRTBGMKQDAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O/c1-15-8-9-17(14-16(15)2)21(24)23-20-12-10-19(11-13-20)22-18-6-4-3-5-7-18/h3-14,22H,1-2H3,(H,23,24).
What are the key properties of N-(4-anilinophenyl)-3,4-dimethylbenzamide?
N-(4-anilinophenyl)-3,4-dimethylbenzamide has a molecular weight of 316.40 g/mol, XLogP of 5.30, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-anilinophenyl)-3,4-dimethylbenzamide is sourced from PubChem (CID 843096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).