N-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-methyl-3-pyrrol-1-ylbenzamide

C22H23N3O2 — CID 18277765

IUPACN-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-methyl-3-pyrrol-1-ylbenzamide
SMILESCc1ccc(C(=O)NCC(=O)Nc2cccc(C)c2C)cc1-n1cccc1
InChIInChI=1S/C22H23N3O2/c1-15-7-6-8-19(17(15)3)24-21(26)14-23-22(27)18-10-9-16(2)20(13-18)25-11-4-5-12-25/h4-13H,14H2,1-3H3,(H,23,27)(H,24,26)
InChIKeyGYHWHGMXYYBJFF-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.77
Rot. Bonds5

About N-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-methyl-3-pyrrol-1-ylbenzamide

N-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-methyl-3-pyrrol-1-ylbenzamide (PubChem CID 18277765) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-methyl-3-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-methyl-3-pyrrol-1-ylbenzamide
PubChem CID18277765
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC NameN-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-methyl-3-pyrrol-1-ylbenzamide
SMILESCc1ccc(C(=O)NCC(=O)Nc2cccc(C)c2C)cc1-n1cccc1
InChIInChI=1S/C22H23N3O2/c1-15-7-6-8-19(17(15)3)24-21(26)14-23-22(27)18-10-9-16(2)20(13-18)25-11-4-5-12-25/h4-13H,14H2,1-3H3,(H,23,27)(H,24,26)
InChIKeyGYHWHGMXYYBJFF-UHFFFAOYSA-N
XLogP3.77
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(ethylamino)-2-oxoethyl]-4-methyl-3-pyrrol-1-ylbenzamide
CID 18145864
N-(2-hydroxyphenyl)-4-methyl-3-pyrrol-1-ylbenzamide
CID 18138394
N-(3-chloro-2-fluorophenyl)-4-methyl-3-pyrrol-1-ylbenzamide
CID 30138754
N-[(4-fluorophenyl)methyl]-4-methyl-3-pyrrol-1-ylbenzamide
CID 16591996
4-methyl-N-(4-phenylbutyl)-3-pyrrol-1-ylbenzamide
CID 18273813
N-[2-(2-hydroxyanilino)-2-oxoethyl]-3,4-dimethylbenzamide
CID 27157902
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide
CID 24982239
3-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-N-ethylbenzamide
CID 54838010
[2-(2,3-dimethylanilino)-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate
CID 7881567
3-N-(2,3-dimethylphenyl)-1-N-propylbenzene-1,3-dicarboxamide
CID 109050377
2-[(2-bromoacetyl)amino]-N-(2,3-dimethylphenyl)acetamide
CID 55246569
4-tert-butyl-N-[3-(2,3-dimethylanilino)-3-oxopropyl]benzamide
CID 7946952

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-methyl-3-pyrrol-1-ylbenzamide?
The IUPAC name of N-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-methyl-3-pyrrol-1-ylbenzamide (CID 18277765) is N-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-methyl-3-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-methyl-3-pyrrol-1-ylbenzamide?
The canonical SMILES for N-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-methyl-3-pyrrol-1-ylbenzamide is Cc1ccc(C(=O)NCC(=O)Nc2cccc(C)c2C)cc1-n1cccc1.
What is the InChIKey of N-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-methyl-3-pyrrol-1-ylbenzamide?
The InChIKey is GYHWHGMXYYBJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-15-7-6-8-19(17(15)3)24-21(26)14-23-22(27)18-10-9-16(2)20(13-18)25-11-4-5-12-25/h4-13H,14H2,1-3H3,(H,23,27)(H,24,26).
What are the key properties of N-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-methyl-3-pyrrol-1-ylbenzamide?
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-methyl-3-pyrrol-1-ylbenzamide has a molecular weight of 361.45 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-methyl-3-pyrrol-1-ylbenzamide is sourced from PubChem (CID 18277765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).