N-(4-anilinophenyl)-2-chloro-4-methylbenzamide

C20H17ClN2O — CID 885919

IUPACN-(4-anilinophenyl)-2-chloro-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(Nc3ccccc3)cc2)c(Cl)c1
InChIInChI=1S/C20H17ClN2O/c1-14-7-12-18(19(21)13-14)20(24)23-17-10-8-16(9-11-17)22-15-5-3-2-4-6-15/h2-13,22H,1H3,(H,23,24)
InChIKeyASOJYDUHYAXWAM-UHFFFAOYSA-N
MW336.82 g/mol
LogP5.64
Rot. Bonds4

About N-(4-anilinophenyl)-2-chloro-4-methylbenzamide

N-(4-anilinophenyl)-2-chloro-4-methylbenzamide (PubChem CID 885919) has the molecular formula C20H17ClN2O and a molecular weight of 336.82 g/mol. Its IUPAC name is N-(4-anilinophenyl)-2-chloro-4-methylbenzamide.

Molecular Properties

Compound NameN-(4-anilinophenyl)-2-chloro-4-methylbenzamide
PubChem CID885919
Molecular FormulaC20H17ClN2O
Molecular Weight336.82 g/mol
Exact Mass336.10
IUPAC NameN-(4-anilinophenyl)-2-chloro-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(Nc3ccccc3)cc2)c(Cl)c1
InChIInChI=1S/C20H17ClN2O/c1-14-7-12-18(19(21)13-14)20(24)23-17-10-8-16(9-11-17)22-15-5-3-2-4-6-15/h2-13,22H,1H3,(H,23,24)
InChIKeyASOJYDUHYAXWAM-UHFFFAOYSA-N
XLogP5.64
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.82
LogP ≤ 55.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-anilinophenyl)-2-chloro-4-methylbenzamide?
The IUPAC name of N-(4-anilinophenyl)-2-chloro-4-methylbenzamide (CID 885919) is N-(4-anilinophenyl)-2-chloro-4-methylbenzamide.
What is the SMILES notation for N-(4-anilinophenyl)-2-chloro-4-methylbenzamide?
The canonical SMILES for N-(4-anilinophenyl)-2-chloro-4-methylbenzamide is Cc1ccc(C(=O)Nc2ccc(Nc3ccccc3)cc2)c(Cl)c1.
What is the InChIKey of N-(4-anilinophenyl)-2-chloro-4-methylbenzamide?
The InChIKey is ASOJYDUHYAXWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O/c1-14-7-12-18(19(21)13-14)20(24)23-17-10-8-16(9-11-17)22-15-5-3-2-4-6-15/h2-13,22H,1H3,(H,23,24).
What are the key properties of N-(4-anilinophenyl)-2-chloro-4-methylbenzamide?
N-(4-anilinophenyl)-2-chloro-4-methylbenzamide has a molecular weight of 336.82 g/mol, XLogP of 5.64, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-anilinophenyl)-2-chloro-4-methylbenzamide is sourced from PubChem (CID 885919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).