N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-bromo-2-chlorobenzamide

C18H18BrClN2O2 — CID 60511474

IUPACN-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-bromo-2-chlorobenzamide
SMILESCCN(Cc1cccc(NC(=O)c2ccc(Br)cc2Cl)c1)C(C)=O
InChIInChI=1S/C18H18BrClN2O2/c1-3-22(12(2)23)11-13-5-4-6-15(9-13)21-18(24)16-8-7-14(19)10-17(16)20/h4-10H,3,11H2,1-2H3,(H,21,24)
InChIKeySNDBDCDFYBGJNZ-UHFFFAOYSA-N
MW409.71 g/mol
LogP4.72
Rot. Bonds5

About N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-bromo-2-chlorobenzamide

N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-bromo-2-chlorobenzamide (PubChem CID 60511474) has the molecular formula C18H18BrClN2O2 and a molecular weight of 409.71 g/mol. Its IUPAC name is N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-bromo-2-chlorobenzamide.

Molecular Properties

Compound NameN-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-bromo-2-chlorobenzamide
PubChem CID60511474
Molecular FormulaC18H18BrClN2O2
Molecular Weight409.71 g/mol
Exact Mass408.02
IUPAC NameN-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-bromo-2-chlorobenzamide
SMILESCCN(Cc1cccc(NC(=O)c2ccc(Br)cc2Cl)c1)C(C)=O
InChIInChI=1S/C18H18BrClN2O2/c1-3-22(12(2)23)11-13-5-4-6-15(9-13)21-18(24)16-8-7-14(19)10-17(16)20/h4-10H,3,11H2,1-2H3,(H,21,24)
InChIKeySNDBDCDFYBGJNZ-UHFFFAOYSA-N
XLogP4.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.71
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-[3-(bromomethyl)phenyl]-2-chlorobenzamide
CID 114307309
N-(3-acetamidophenyl)-4-bromo-2-chlorobenzamide
CID 55834573
4-bromo-N-(3-bromophenyl)-2-chlorobenzamide
CID 43805502
4-amino-2-chloro-N-[3-(diethylaminomethyl)phenyl]benzamide
CID 119852845
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-2-(N-methylanilino)benzamide
CID 55761158
N-[4-[2-[3-[[acetyl(ethyl)amino]methyl]anilino]-2-oxoethyl]phenyl]-5-bromofuran-2-carboxamide
CID 60511418
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-1-benzyl-5-chloro-3-methylpyrazole-4-carboxamide
CID 34333420
5-bromo-2-chloro-N-[3-(methoxymethyl)phenyl]benzamide
CID 32638343
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazole-4-carboxamide
CID 34337638
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-1-(3-bromophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 55791755
2-[3-[[acetyl(ethyl)amino]methyl]anilino]-N-(2-chlorophenyl)acetamide
CID 36853201
(E)-N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-3-(2-bromophenyl)prop-2-enamide
CID 34332374

Frequently Asked Questions

What is the IUPAC name of N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-bromo-2-chlorobenzamide?
The IUPAC name of N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-bromo-2-chlorobenzamide (CID 60511474) is N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-bromo-2-chlorobenzamide.
What is the SMILES notation for N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-bromo-2-chlorobenzamide?
The canonical SMILES for N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-bromo-2-chlorobenzamide is CCN(Cc1cccc(NC(=O)c2ccc(Br)cc2Cl)c1)C(C)=O.
What is the InChIKey of N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-bromo-2-chlorobenzamide?
The InChIKey is SNDBDCDFYBGJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrClN2O2/c1-3-22(12(2)23)11-13-5-4-6-15(9-13)21-18(24)16-8-7-14(19)10-17(16)20/h4-10H,3,11H2,1-2H3,(H,21,24).
What are the key properties of N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-bromo-2-chlorobenzamide?
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-bromo-2-chlorobenzamide has a molecular weight of 409.71 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-bromo-2-chlorobenzamide is sourced from PubChem (CID 60511474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).