N-[2-(2-bromoanilino)-2-oxoethyl]-2-(diethylamino)-N-methyl-2-phenylacetamide

C21H26BrN3O2 — CID 56538781

IUPACN-[2-(2-bromoanilino)-2-oxoethyl]-2-(diethylamino)-N-methyl-2-phenylacetamide
SMILESCCN(CC)C(C(=O)N(C)CC(=O)Nc1ccccc1Br)c1ccccc1
InChIInChI=1S/C21H26BrN3O2/c1-4-25(5-2)20(16-11-7-6-8-12-16)21(27)24(3)15-19(26)23-18-14-10-9-13-17(18)22/h6-14,20H,4-5,15H2,1-3H3,(H,23,26)
InChIKeyALMWVOFTMFTJTK-UHFFFAOYSA-N
MW432.36 g/mol
LogP3.93
Rot. Bonds8

About N-[2-(2-bromoanilino)-2-oxoethyl]-2-(diethylamino)-N-methyl-2-phenylacetamide

N-[2-(2-bromoanilino)-2-oxoethyl]-2-(diethylamino)-N-methyl-2-phenylacetamide (PubChem CID 56538781) has the molecular formula C21H26BrN3O2 and a molecular weight of 432.36 g/mol. Its IUPAC name is N-[2-(2-bromoanilino)-2-oxoethyl]-2-(diethylamino)-N-methyl-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-(2-bromoanilino)-2-oxoethyl]-2-(diethylamino)-N-methyl-2-phenylacetamide
PubChem CID56538781
Molecular FormulaC21H26BrN3O2
Molecular Weight432.36 g/mol
Exact Mass431.12
IUPAC NameN-[2-(2-bromoanilino)-2-oxoethyl]-2-(diethylamino)-N-methyl-2-phenylacetamide
SMILESCCN(CC)C(C(=O)N(C)CC(=O)Nc1ccccc1Br)c1ccccc1
InChIInChI=1S/C21H26BrN3O2/c1-4-25(5-2)20(16-11-7-6-8-12-16)21(27)24(3)15-19(26)23-18-14-10-9-13-17(18)22/h6-14,20H,4-5,15H2,1-3H3,(H,23,26)
InChIKeyALMWVOFTMFTJTK-UHFFFAOYSA-N
XLogP3.93
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.36
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-chloroanilino)-2-oxoethyl]-2-(diethylamino)-N-methyl-2-phenylacetamide
CID 56538645
2-(diethylamino)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-2-phenylacetamide
CID 56538678
N-[2-(2-bromoanilino)-2-oxoethyl]-N,2-dimethylpropanamide
CID 47097234
3-[[2-(2-bromoanilino)-2-oxoethyl]-ethylamino]butanoic acid
CID 62827479
2-acetamido-N-[2-(2-bromoanilino)-2-oxoethyl]-N-methylpropanamide
CID 78772998
N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-2-propan-2-ylsulfonylpropanamide
CID 55967009
N-(2-bromophenyl)-2-(dimethylamino)-2-phenylacetamide
CID 110425843
N-(2-bromophenyl)-2-(dimethylamino)acetamide;hydrochloride
CID 2959503
N-[2-(2-bromoanilino)-2-oxoethyl]-N-methylpentanamide
CID 27800739
N-(2-bromophenyl)-2-[methyl-[(2S)-1-[(S)-methylsulfinyl]propan-2-yl]amino]acetamide
CID 97352788
2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-ethylacetamide
CID 47104711
3-[[2-(2-bromoanilino)-2-oxoethyl]-propan-2-ylamino]propanoic acid
CID 60840353

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromoanilino)-2-oxoethyl]-2-(diethylamino)-N-methyl-2-phenylacetamide?
The IUPAC name of N-[2-(2-bromoanilino)-2-oxoethyl]-2-(diethylamino)-N-methyl-2-phenylacetamide (CID 56538781) is N-[2-(2-bromoanilino)-2-oxoethyl]-2-(diethylamino)-N-methyl-2-phenylacetamide.
What is the SMILES notation for N-[2-(2-bromoanilino)-2-oxoethyl]-2-(diethylamino)-N-methyl-2-phenylacetamide?
The canonical SMILES for N-[2-(2-bromoanilino)-2-oxoethyl]-2-(diethylamino)-N-methyl-2-phenylacetamide is CCN(CC)C(C(=O)N(C)CC(=O)Nc1ccccc1Br)c1ccccc1.
What is the InChIKey of N-[2-(2-bromoanilino)-2-oxoethyl]-2-(diethylamino)-N-methyl-2-phenylacetamide?
The InChIKey is ALMWVOFTMFTJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26BrN3O2/c1-4-25(5-2)20(16-11-7-6-8-12-16)21(27)24(3)15-19(26)23-18-14-10-9-13-17(18)22/h6-14,20H,4-5,15H2,1-3H3,(H,23,26).
What are the key properties of N-[2-(2-bromoanilino)-2-oxoethyl]-2-(diethylamino)-N-methyl-2-phenylacetamide?
N-[2-(2-bromoanilino)-2-oxoethyl]-2-(diethylamino)-N-methyl-2-phenylacetamide has a molecular weight of 432.36 g/mol, XLogP of 3.93, 8 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]-2-(diethylamino)-N-methyl-2-phenylacetamide is sourced from PubChem (CID 56538781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).