5-[4-(benzylamino)benzoyl]-2-methylbenzamide

C22H20N2O2 — CID 177024781

IUPAC5-[4-(benzylamino)benzoyl]-2-methylbenzamide
SMILESCc1ccc(C(=O)c2ccc(NCc3ccccc3)cc2)cc1C(N)=O
InChIInChI=1S/C22H20N2O2/c1-15-7-8-18(13-20(15)22(23)26)21(25)17-9-11-19(12-10-17)24-14-16-5-3-2-4-6-16/h2-13,24H,14H2,1H3,(H2,23,26)
InChIKeyFSRPAEWBUUWXMK-UHFFFAOYSA-N
MW344.41 g/mol
LogP3.94
Rot. Bonds6

About 5-[4-(benzylamino)benzoyl]-2-methylbenzamide

5-[4-(benzylamino)benzoyl]-2-methylbenzamide (PubChem CID 177024781) has the molecular formula C22H20N2O2 and a molecular weight of 344.41 g/mol. Its IUPAC name is 5-[4-(benzylamino)benzoyl]-2-methylbenzamide.

Molecular Properties

Compound Name5-[4-(benzylamino)benzoyl]-2-methylbenzamide
PubChem CID177024781
Molecular FormulaC22H20N2O2
Molecular Weight344.41 g/mol
Exact Mass344.15
IUPAC Name5-[4-(benzylamino)benzoyl]-2-methylbenzamide
SMILESCc1ccc(C(=O)c2ccc(NCc3ccccc3)cc2)cc1C(N)=O
InChIInChI=1S/C22H20N2O2/c1-15-7-8-18(13-20(15)22(23)26)21(25)17-9-11-19(12-10-17)24-14-16-5-3-2-4-6-16/h2-13,24H,14H2,1H3,(H2,23,26)
InChIKeyFSRPAEWBUUWXMK-UHFFFAOYSA-N
XLogP3.94
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(benzylamino)phenyl]-phenylmethanone
CID 11208443
4-(anilinomethyl)-3-methylbenzamide
CID 114479545
[4-[(4-methylphenyl)methylamino]phenyl]-(3,4,5-trimethylphenyl)methanone
CID 59551612
[4-(benzylamino)phenyl]urea
CID 43744943
4-[(3-methylanilino)methyl]benzamide
CID 28564307
tert-butyl 4-(benzylamino)benzoate
CID 67130530
4-(anilinomethyl)-2-hydroxybenzamide
CID 175971604
3-[(3-bromo-4-methylanilino)methyl]benzamide
CID 55201932
2-[4-[[4-(dimethylamino)phenyl]methylamino]benzoyl]benzoic acid
CID 71339096
4-[(4-methyl-3-nitrophenyl)methylamino]benzamide
CID 43760410
N-benzyl-3-chloro-4-methylaniline
CID 18778604
4-[[4-(methylcarbamoyl)anilino]methyl]benzamide
CID 43232718

Frequently Asked Questions

What is the IUPAC name of 5-[4-(benzylamino)benzoyl]-2-methylbenzamide?
The IUPAC name of 5-[4-(benzylamino)benzoyl]-2-methylbenzamide (CID 177024781) is 5-[4-(benzylamino)benzoyl]-2-methylbenzamide.
What is the SMILES notation for 5-[4-(benzylamino)benzoyl]-2-methylbenzamide?
The canonical SMILES for 5-[4-(benzylamino)benzoyl]-2-methylbenzamide is Cc1ccc(C(=O)c2ccc(NCc3ccccc3)cc2)cc1C(N)=O.
What is the InChIKey of 5-[4-(benzylamino)benzoyl]-2-methylbenzamide?
The InChIKey is FSRPAEWBUUWXMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2/c1-15-7-8-18(13-20(15)22(23)26)21(25)17-9-11-19(12-10-17)24-14-16-5-3-2-4-6-16/h2-13,24H,14H2,1H3,(H2,23,26).
What are the key properties of 5-[4-(benzylamino)benzoyl]-2-methylbenzamide?
5-[4-(benzylamino)benzoyl]-2-methylbenzamide has a molecular weight of 344.41 g/mol, XLogP of 3.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(benzylamino)benzoyl]-2-methylbenzamide is sourced from PubChem (CID 177024781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).