N-(4-bromo-2-methylphenyl)-2-(diethylamino)-2-phenylacetamide

C19H23BrN2O — CID 56538096

IUPACN-(4-bromo-2-methylphenyl)-2-(diethylamino)-2-phenylacetamide
SMILESCCN(CC)C(C(=O)Nc1ccc(Br)cc1C)c1ccccc1
InChIInChI=1S/C19H23BrN2O/c1-4-22(5-2)18(15-9-7-6-8-10-15)19(23)21-17-12-11-16(20)13-14(17)3/h6-13,18H,4-5H2,1-3H3,(H,21,23)
InChIKeyFDZCPYVBIFNBGA-UHFFFAOYSA-N
MW375.31 g/mol
LogP4.78
Rot. Bonds6

About N-(4-bromo-2-methylphenyl)-2-(diethylamino)-2-phenylacetamide

N-(4-bromo-2-methylphenyl)-2-(diethylamino)-2-phenylacetamide (PubChem CID 56538096) has the molecular formula C19H23BrN2O and a molecular weight of 375.31 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-2-(diethylamino)-2-phenylacetamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-2-(diethylamino)-2-phenylacetamide
PubChem CID56538096
Molecular FormulaC19H23BrN2O
Molecular Weight375.31 g/mol
Exact Mass374.10
IUPAC NameN-(4-bromo-2-methylphenyl)-2-(diethylamino)-2-phenylacetamide
SMILESCCN(CC)C(C(=O)Nc1ccc(Br)cc1C)c1ccccc1
InChIInChI=1S/C19H23BrN2O/c1-4-22(5-2)18(15-9-7-6-8-10-15)19(23)21-17-12-11-16(20)13-14(17)3/h6-13,18H,4-5H2,1-3H3,(H,21,23)
InChIKeyFDZCPYVBIFNBGA-UHFFFAOYSA-N
XLogP4.78
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.31
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-bromo-2-methylphenyl)carbamoyl]butanoic acid
CID 56986865
2-(diethylamino)-N-[4-(dimethylamino)-3-methylphenyl]-2-phenylacetamide
CID 56540512
2-(diethylamino)-N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]-2-phenylacetamide
CID 56580263
1-(4-bromo-2-methylphenyl)-3-(2-methylphenyl)urea
CID 108894214
(2R)-N-(4-bromo-2-methylphenyl)-2-methylpentanamide
CID 884269
N-(4-bromo-2-methylphenyl)-2-methylbutanediamide
CID 82124667
(2R)-2-amino-N-(4-bromo-2-methylphenyl)pentanamide
CID 103793966
N-(4-bromo-2-methylphenyl)-3-(N-ethylanilino)propanamide
CID 109036567
N-(4-bromo-2-methylphenyl)-2-ethylsulfanylbenzamide
CID 4631177
N-(4-bromo-2-methylphenyl)-2-[[(4-fluorophenyl)-phenylmethyl]-methylamino]acetamide
CID 16609224
N'-benzyl-N-(4-bromo-2-methylphenyl)-N'-methylpropanediamide
CID 108946169
2-(diethylamino)-N-(3-methylsulfanylphenyl)-2-phenylacetamide
CID 56538563

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-2-(diethylamino)-2-phenylacetamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-2-(diethylamino)-2-phenylacetamide (CID 56538096) is N-(4-bromo-2-methylphenyl)-2-(diethylamino)-2-phenylacetamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-2-(diethylamino)-2-phenylacetamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-2-(diethylamino)-2-phenylacetamide is CCN(CC)C(C(=O)Nc1ccc(Br)cc1C)c1ccccc1.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-2-(diethylamino)-2-phenylacetamide?
The InChIKey is FDZCPYVBIFNBGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN2O/c1-4-22(5-2)18(15-9-7-6-8-10-15)19(23)21-17-12-11-16(20)13-14(17)3/h6-13,18H,4-5H2,1-3H3,(H,21,23).
What are the key properties of N-(4-bromo-2-methylphenyl)-2-(diethylamino)-2-phenylacetamide?
N-(4-bromo-2-methylphenyl)-2-(diethylamino)-2-phenylacetamide has a molecular weight of 375.31 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-2-(diethylamino)-2-phenylacetamide is sourced from PubChem (CID 56538096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).