4-(dimethylamino)-N-[2-(4-methylanilino)phenyl]benzamide

C22H23N3O — CID 108745006

IUPAC4-(dimethylamino)-N-[2-(4-methylanilino)phenyl]benzamide
SMILESCc1ccc(Nc2ccccc2NC(=O)c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C22H23N3O/c1-16-8-12-18(13-9-16)23-20-6-4-5-7-21(20)24-22(26)17-10-14-19(15-11-17)25(2)3/h4-15,23H,1-3H3,(H,24,26)
InChIKeyBVVKPTPORWRPNB-UHFFFAOYSA-N
MW345.45 g/mol
LogP5.06
Rot. Bonds5

About 4-(dimethylamino)-N-[2-(4-methylanilino)phenyl]benzamide

4-(dimethylamino)-N-[2-(4-methylanilino)phenyl]benzamide (PubChem CID 108745006) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[2-(4-methylanilino)phenyl]benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-[2-(4-methylanilino)phenyl]benzamide
PubChem CID108745006
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC Name4-(dimethylamino)-N-[2-(4-methylanilino)phenyl]benzamide
SMILESCc1ccc(Nc2ccccc2NC(=O)c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C22H23N3O/c1-16-8-12-18(13-9-16)23-20-6-4-5-7-21(20)24-22(26)17-10-14-19(15-11-17)25(2)3/h4-15,23H,1-3H3,(H,24,26)
InChIKeyBVVKPTPORWRPNB-UHFFFAOYSA-N
XLogP5.06
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.45
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[2-(4-methylanilino)phenyl]benzamide
CID 108767264
3,4-difluoro-N-[2-(4-methylanilino)phenyl]benzamide
CID 108745099
1-N-[4-(dimethylamino)phenyl]-4-N-(2-ethylphenyl)benzene-1,4-dicarboxamide
CID 109049739
N-[2-(4-methylanilino)phenyl]acetamide
CID 21106134
4-bromo-N-[2-(4-bromoanilino)phenyl]benzamide
CID 70803763
4-(dimethylamino)-N-[2-(hydroxymethyl)phenyl]benzamide
CID 60653502
4-(dimethylamino)-N-(2-fluoro-5-methylphenyl)benzamide
CID 78769182
N-[2-(4-methylanilino)phenyl]pyridine-2-carboxamide
CID 108745005
4-(dimethylamino)-N-(4-iodophenyl)benzamide
CID 590767
1-N-[4-(dimethylamino)phenyl]-3-N-(2-methylphenyl)benzene-1,3-dicarboxamide
CID 109056881
4-methyl-N-[2-(4-methylanilino)phenyl]-3,5-dinitrobenzamide
CID 108745001
4-amino-N-[4-[4-[[4-(dimethylamino)benzoyl]amino]anilino]phenyl]benzamide
CID 129035701

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-[2-(4-methylanilino)phenyl]benzamide?
The IUPAC name of 4-(dimethylamino)-N-[2-(4-methylanilino)phenyl]benzamide (CID 108745006) is 4-(dimethylamino)-N-[2-(4-methylanilino)phenyl]benzamide.
What is the SMILES notation for 4-(dimethylamino)-N-[2-(4-methylanilino)phenyl]benzamide?
The canonical SMILES for 4-(dimethylamino)-N-[2-(4-methylanilino)phenyl]benzamide is Cc1ccc(Nc2ccccc2NC(=O)c2ccc(N(C)C)cc2)cc1.
What is the InChIKey of 4-(dimethylamino)-N-[2-(4-methylanilino)phenyl]benzamide?
The InChIKey is BVVKPTPORWRPNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c1-16-8-12-18(13-9-16)23-20-6-4-5-7-21(20)24-22(26)17-10-14-19(15-11-17)25(2)3/h4-15,23H,1-3H3,(H,24,26).
What are the key properties of 4-(dimethylamino)-N-[2-(4-methylanilino)phenyl]benzamide?
4-(dimethylamino)-N-[2-(4-methylanilino)phenyl]benzamide has a molecular weight of 345.45 g/mol, XLogP of 5.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-[2-(4-methylanilino)phenyl]benzamide is sourced from PubChem (CID 108745006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).