N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzamide

C20H20BrN3O3 — CID 27800522

IUPACN-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESCN(CC(=O)Nc1ccccc1Br)C(=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C20H20BrN3O3/c1-23(13-18(25)22-17-6-3-2-5-16(17)21)20(27)14-8-10-15(11-9-14)24-12-4-7-19(24)26/h2-3,5-6,8-11H,4,7,12-13H2,1H3,(H,22,25)
InChIKeyITPYGGJJCFXXIF-UHFFFAOYSA-N
MW430.30 g/mol
LogP3.29
Rot. Bonds5

About N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzamide

N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 27800522) has the molecular formula C20H20BrN3O3 and a molecular weight of 430.30 g/mol. Its IUPAC name is N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID27800522
Molecular FormulaC20H20BrN3O3
Molecular Weight430.30 g/mol
Exact Mass429.07
IUPAC NameN-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESCN(CC(=O)Nc1ccccc1Br)C(=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C20H20BrN3O3/c1-23(13-18(25)22-17-6-3-2-5-16(17)21)20(27)14-8-10-15(11-9-14)24-12-4-7-19(24)26/h2-3,5-6,8-11H,4,7,12-13H2,1H3,(H,22,25)
InChIKeyITPYGGJJCFXXIF-UHFFFAOYSA-N
XLogP3.29
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.30
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 9426335
N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 27800997
N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-4-(trifluoromethoxy)benzamide
CID 4845703
N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-(2-oxopyrrolidin-1-yl)benzamide
CID 9378702
4-chloro-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide
CID 9161330
N-(2-ethylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 7750845
N-[(2-bromophenyl)methyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide
CID 29213246
N-[2-(naphthalen-1-ylamino)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 24637861
N-[(2-hydroxycyclopentyl)methyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzamide
CID 109400327
N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-3,5-dinitrobenzamide
CID 26896533
N-[2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 9476611
N-[4-[[2-(2-bromoanilino)-2-oxoethyl]-methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 30496839

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzamide (CID 27800522) is N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzamide is CN(CC(=O)Nc1ccccc1Br)C(=O)c1ccc(N2CCCC2=O)cc1.
What is the InChIKey of N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is ITPYGGJJCFXXIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrN3O3/c1-23(13-18(25)22-17-6-3-2-5-16(17)21)20(27)14-8-10-15(11-9-14)24-12-4-7-19(24)26/h2-3,5-6,8-11H,4,7,12-13H2,1H3,(H,22,25).
What are the key properties of N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzamide?
N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 430.30 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 27800522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).