N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-(2-oxoimidazolidin-1-yl)benzamide

C19H19BrN4O3 — CID 46682517

IUPACN-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-(2-oxoimidazolidin-1-yl)benzamide
SMILESCc1cc(Br)ccc1NC(=O)CNC(=O)c1ccc(N2CCNC2=O)cc1
InChIInChI=1S/C19H19BrN4O3/c1-12-10-14(20)4-7-16(12)23-17(25)11-22-18(26)13-2-5-15(6-3-13)24-9-8-21-19(24)27/h2-7,10H,8-9,11H2,1H3,(H,21,27)(H,22,26)(H,23,25)
InChIKeyCHPGPIDVJFVSLW-UHFFFAOYSA-N
MW431.29 g/mol
LogP2.66
Rot. Bonds5

About N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-(2-oxoimidazolidin-1-yl)benzamide

N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-(2-oxoimidazolidin-1-yl)benzamide (PubChem CID 46682517) has the molecular formula C19H19BrN4O3 and a molecular weight of 431.29 g/mol. Its IUPAC name is N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-(2-oxoimidazolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-(2-oxoimidazolidin-1-yl)benzamide
PubChem CID46682517
Molecular FormulaC19H19BrN4O3
Molecular Weight431.29 g/mol
Exact Mass430.06
IUPAC NameN-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-(2-oxoimidazolidin-1-yl)benzamide
SMILESCc1cc(Br)ccc1NC(=O)CNC(=O)c1ccc(N2CCNC2=O)cc1
InChIInChI=1S/C19H19BrN4O3/c1-12-10-14(20)4-7-16(12)23-17(25)11-22-18(26)13-2-5-15(6-3-13)24-9-8-21-19(24)27/h2-7,10H,8-9,11H2,1H3,(H,21,27)(H,22,26)(H,23,25)
InChIKeyCHPGPIDVJFVSLW-UHFFFAOYSA-N
XLogP2.66
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.29
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 27781558
N-(2-methylphenyl)-4-(2-oxoimidazolidin-1-yl)benzamide
CID 46687823
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-(methoxymethyl)benzamide
CID 17439988
2-benzamido-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]benzamide
CID 26549746
3-amino-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]pyrazine-2-carboxamide
CID 18135661
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2,4,6-trimethylbenzamide
CID 112761213
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-(methylsulfonylmethyl)benzamide
CID 27781579
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-methyl-4-(tetrazol-1-yl)benzamide
CID 55616644
N-[5-chloro-2-(propylamino)phenyl]-4-(2-oxoimidazolidin-1-yl)benzamide
CID 75382285
4-bromo-N-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]benzamide
CID 9211763
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2,5-dimethylbenzamide
CID 27781463
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]cyclopentene-1-carboxamide
CID 71918952

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-(2-oxoimidazolidin-1-yl)benzamide?
The IUPAC name of N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-(2-oxoimidazolidin-1-yl)benzamide (CID 46682517) is N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-(2-oxoimidazolidin-1-yl)benzamide.
What is the SMILES notation for N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-(2-oxoimidazolidin-1-yl)benzamide?
The canonical SMILES for N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-(2-oxoimidazolidin-1-yl)benzamide is Cc1cc(Br)ccc1NC(=O)CNC(=O)c1ccc(N2CCNC2=O)cc1.
What is the InChIKey of N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-(2-oxoimidazolidin-1-yl)benzamide?
The InChIKey is CHPGPIDVJFVSLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN4O3/c1-12-10-14(20)4-7-16(12)23-17(25)11-22-18(26)13-2-5-15(6-3-13)24-9-8-21-19(24)27/h2-7,10H,8-9,11H2,1H3,(H,21,27)(H,22,26)(H,23,25).
What are the key properties of N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-(2-oxoimidazolidin-1-yl)benzamide?
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-(2-oxoimidazolidin-1-yl)benzamide has a molecular weight of 431.29 g/mol, XLogP of 2.66, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-(2-oxoimidazolidin-1-yl)benzamide is sourced from PubChem (CID 46682517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).