N-[2-(N-acetyl-4-bromoanilino)ethyl]-4-methoxybenzamide

C18H19BrN2O3 — CID 113060353

IUPACN-[2-(N-acetyl-4-bromoanilino)ethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCN(C(C)=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C18H19BrN2O3/c1-13(22)21(16-7-5-15(19)6-8-16)12-11-20-18(23)14-3-9-17(24-2)10-4-14/h3-10H,11-12H2,1-2H3,(H,20,23)
InChIKeyMBWIGGAHUQYWCQ-UHFFFAOYSA-N
MW391.27 g/mol
LogP3.24
Rot. Bonds6

About N-[2-(N-acetyl-4-bromoanilino)ethyl]-4-methoxybenzamide

N-[2-(N-acetyl-4-bromoanilino)ethyl]-4-methoxybenzamide (PubChem CID 113060353) has the molecular formula C18H19BrN2O3 and a molecular weight of 391.27 g/mol. Its IUPAC name is N-[2-(N-acetyl-4-bromoanilino)ethyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-4-bromoanilino)ethyl]-4-methoxybenzamide
PubChem CID113060353
Molecular FormulaC18H19BrN2O3
Molecular Weight391.27 g/mol
Exact Mass390.06
IUPAC NameN-[2-(N-acetyl-4-bromoanilino)ethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCN(C(C)=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C18H19BrN2O3/c1-13(22)21(16-7-5-15(19)6-8-16)12-11-20-18(23)14-3-9-17(24-2)10-4-14/h3-10H,11-12H2,1-2H3,(H,20,23)
InChIKeyMBWIGGAHUQYWCQ-UHFFFAOYSA-N
XLogP3.24
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.27
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[acetyl-[2-[(4-methoxybenzoyl)amino]ethyl]amino]benzoate
CID 113062034
N-[2-(N-acetyl-4-methoxyanilino)ethyl]acetamide
CID 91715659
methyl 4-[acetyl-[2-[(4-methylbenzoyl)amino]ethyl]amino]benzoate
CID 113062028
4-bromo-N-[2-(4-methoxyphenoxy)ethyl]benzamide
CID 2292601
N-[2-[N-acetyl-4-(dimethylamino)anilino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 113062185
N-[2-(N-acetyl-4-propan-2-yloxyanilino)ethyl]benzamide
CID 113061087
N-[2-(N-acetyl-4-methoxyanilino)ethyl]-2-(4-fluorophenyl)acetamide
CID 113060664
N-[2-(N,4-diacetylanilino)ethyl]-4-fluorobenzamide
CID 113061648
N-[2-[acetyl(propan-2-yl)amino]ethyl]-4-methoxybenzamide
CID 113051986
N-[2-(N-acetyl-3,4-dimethoxyanilino)ethyl]-3,4-dimethylbenzamide
CID 113061310
N-[2-(N-acetyl-4-bromoanilino)ethyl]-2-phenylacetamide
CID 113060356
N-[2-[(4-bromobenzoyl)amino]ethyl]-3,5-dimethoxybenzamide
CID 108539326

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-4-bromoanilino)ethyl]-4-methoxybenzamide?
The IUPAC name of N-[2-(N-acetyl-4-bromoanilino)ethyl]-4-methoxybenzamide (CID 113060353) is N-[2-(N-acetyl-4-bromoanilino)ethyl]-4-methoxybenzamide.
What is the SMILES notation for N-[2-(N-acetyl-4-bromoanilino)ethyl]-4-methoxybenzamide?
The canonical SMILES for N-[2-(N-acetyl-4-bromoanilino)ethyl]-4-methoxybenzamide is COc1ccc(C(=O)NCCN(C(C)=O)c2ccc(Br)cc2)cc1.
What is the InChIKey of N-[2-(N-acetyl-4-bromoanilino)ethyl]-4-methoxybenzamide?
The InChIKey is MBWIGGAHUQYWCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O3/c1-13(22)21(16-7-5-15(19)6-8-16)12-11-20-18(23)14-3-9-17(24-2)10-4-14/h3-10H,11-12H2,1-2H3,(H,20,23).
What are the key properties of N-[2-(N-acetyl-4-bromoanilino)ethyl]-4-methoxybenzamide?
N-[2-(N-acetyl-4-bromoanilino)ethyl]-4-methoxybenzamide has a molecular weight of 391.27 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-acetyl-4-bromoanilino)ethyl]-4-methoxybenzamide is sourced from PubChem (CID 113060353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).