2-[(3-bromobenzoyl)amino]-N-[2-(dimethylamino)-2-oxoethyl]-N-methylbenzamide

C19H20BrN3O3 — CID 112834396

IUPAC2-[(3-bromobenzoyl)amino]-N-[2-(dimethylamino)-2-oxoethyl]-N-methylbenzamide
SMILESCN(C)C(=O)CN(C)C(=O)c1ccccc1NC(=O)c1cccc(Br)c1
InChIInChI=1S/C19H20BrN3O3/c1-22(2)17(24)12-23(3)19(26)15-9-4-5-10-16(15)21-18(25)13-7-6-8-14(20)11-13/h4-11H,12H2,1-3H3,(H,21,25)
InChIKeyKZQDHALHJCBFSV-UHFFFAOYSA-N
MW418.29 g/mol
LogP2.86
Rot. Bonds5

About 2-[(3-bromobenzoyl)amino]-N-[2-(dimethylamino)-2-oxoethyl]-N-methylbenzamide

2-[(3-bromobenzoyl)amino]-N-[2-(dimethylamino)-2-oxoethyl]-N-methylbenzamide (PubChem CID 112834396) has the molecular formula C19H20BrN3O3 and a molecular weight of 418.29 g/mol. Its IUPAC name is 2-[(3-bromobenzoyl)amino]-N-[2-(dimethylamino)-2-oxoethyl]-N-methylbenzamide.

Molecular Properties

Compound Name2-[(3-bromobenzoyl)amino]-N-[2-(dimethylamino)-2-oxoethyl]-N-methylbenzamide
PubChem CID112834396
Molecular FormulaC19H20BrN3O3
Molecular Weight418.29 g/mol
Exact Mass417.07
IUPAC Name2-[(3-bromobenzoyl)amino]-N-[2-(dimethylamino)-2-oxoethyl]-N-methylbenzamide
SMILESCN(C)C(=O)CN(C)C(=O)c1ccccc1NC(=O)c1cccc(Br)c1
InChIInChI=1S/C19H20BrN3O3/c1-22(2)17(24)12-23(3)19(26)15-9-4-5-10-16(15)21-18(25)13-7-6-8-14(20)11-13/h4-11H,12H2,1-3H3,(H,21,25)
InChIKeyKZQDHALHJCBFSV-UHFFFAOYSA-N
XLogP2.86
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.29
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-[2-(hydrazinecarbonyl)phenyl]benzamide
CID 4101681
N-[2-(dimethylamino)-2-oxoethyl]-2-(ethylamino)-N-methylbenzamide
CID 55176895
N-[2-[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 71898965
2-benzamido-N-[(4-bromophenyl)methyl]-N-methylbenzamide
CID 32892148
2-[(3-bromobenzoyl)amino]-N-phenylbenzamide
CID 54790950
2-[2-[(3-bromobenzoyl)amino]phenyl]acetic acid
CID 62537049
2-[(3-bromobenzoyl)amino]-N-(1-phenylethyl)benzamide
CID 54790772
ethyl 2-[[3-[(2-ethoxycarbonylphenyl)carbamoyl]benzoyl]amino]benzoate
CID 4013454
N-benzyl-2-[[3-(2-ethoxyethoxy)benzoyl]amino]-N-methylbenzamide
CID 17139628
3-bromo-N-(3-hydroxy-2-methylphenyl)benzamide
CID 64793442
3-bromo-N-[2-(dimethylcarbamoyl)phenyl]-4-propoxybenzamide
CID 17342801
N-[(2-chlorophenyl)methyl]-N-methyl-2-[(3-methylbenzoyl)amino]benzamide
CID 112790282

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromobenzoyl)amino]-N-[2-(dimethylamino)-2-oxoethyl]-N-methylbenzamide?
The IUPAC name of 2-[(3-bromobenzoyl)amino]-N-[2-(dimethylamino)-2-oxoethyl]-N-methylbenzamide (CID 112834396) is 2-[(3-bromobenzoyl)amino]-N-[2-(dimethylamino)-2-oxoethyl]-N-methylbenzamide.
What is the SMILES notation for 2-[(3-bromobenzoyl)amino]-N-[2-(dimethylamino)-2-oxoethyl]-N-methylbenzamide?
The canonical SMILES for 2-[(3-bromobenzoyl)amino]-N-[2-(dimethylamino)-2-oxoethyl]-N-methylbenzamide is CN(C)C(=O)CN(C)C(=O)c1ccccc1NC(=O)c1cccc(Br)c1.
What is the InChIKey of 2-[(3-bromobenzoyl)amino]-N-[2-(dimethylamino)-2-oxoethyl]-N-methylbenzamide?
The InChIKey is KZQDHALHJCBFSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrN3O3/c1-22(2)17(24)12-23(3)19(26)15-9-4-5-10-16(15)21-18(25)13-7-6-8-14(20)11-13/h4-11H,12H2,1-3H3,(H,21,25).
What are the key properties of 2-[(3-bromobenzoyl)amino]-N-[2-(dimethylamino)-2-oxoethyl]-N-methylbenzamide?
2-[(3-bromobenzoyl)amino]-N-[2-(dimethylamino)-2-oxoethyl]-N-methylbenzamide has a molecular weight of 418.29 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromobenzoyl)amino]-N-[2-(dimethylamino)-2-oxoethyl]-N-methylbenzamide is sourced from PubChem (CID 112834396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).