N-[3-[[2-(4-bromophenoxy)acetyl]amino]phenyl]butanamide

C18H19BrN2O3 — CID 1371979

IUPACN-[3-[[2-(4-bromophenoxy)acetyl]amino]phenyl]butanamide
SMILESCCCC(=O)Nc1cccc(NC(=O)COc2ccc(Br)cc2)c1
InChIInChI=1S/C18H19BrN2O3/c1-2-4-17(22)20-14-5-3-6-15(11-14)21-18(23)12-24-16-9-7-13(19)8-10-16/h3,5-11H,2,4,12H2,1H3,(H,20,22)(H,21,23)
InChIKeyLNHPBCNDNYKPRI-UHFFFAOYSA-N
MW391.27 g/mol
LogP4.21
Rot. Bonds7

About N-[3-[[2-(4-bromophenoxy)acetyl]amino]phenyl]butanamide

N-[3-[[2-(4-bromophenoxy)acetyl]amino]phenyl]butanamide (PubChem CID 1371979) has the molecular formula C18H19BrN2O3 and a molecular weight of 391.27 g/mol. Its IUPAC name is N-[3-[[2-(4-bromophenoxy)acetyl]amino]phenyl]butanamide.

Molecular Properties

Compound NameN-[3-[[2-(4-bromophenoxy)acetyl]amino]phenyl]butanamide
PubChem CID1371979
Molecular FormulaC18H19BrN2O3
Molecular Weight391.27 g/mol
Exact Mass390.06
IUPAC NameN-[3-[[2-(4-bromophenoxy)acetyl]amino]phenyl]butanamide
SMILESCCCC(=O)Nc1cccc(NC(=O)COc2ccc(Br)cc2)c1
InChIInChI=1S/C18H19BrN2O3/c1-2-4-17(22)20-14-5-3-6-15(11-14)21-18(23)12-24-16-9-7-13(19)8-10-16/h3,5-11H,2,4,12H2,1H3,(H,20,22)(H,21,23)
InChIKeyLNHPBCNDNYKPRI-UHFFFAOYSA-N
XLogP4.21
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.27
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[3-[[2-(4-bromophenoxy)acetyl]amino]phenyl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[[2-(4-bromophenoxy)acetyl]amino]phenyl]butanamide
CID 1361282
2-(4-bromophenoxy)-N-(3-bromophenyl)acetamide
CID 2631877
2-(4-bromophenoxy)-N-(3-propoxyphenyl)acetamide
CID 17096693
N-[3-(2-anilino-2-oxoethoxy)phenyl]-2-(4-bromophenoxy)acetamide
CID 55901957
2-(4-bromophenoxy)-N-(3-propan-2-yloxyphenyl)acetamide
CID 17154695
2-(4-bromophenoxy)-N-(3-butan-2-yloxyphenyl)acetamide
CID 17161566
2-(4-bromophenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1177163
2-(4-bromophenoxy)-N-[3-(butylsulfamoyl)phenyl]acetamide
CID 17482935
N-(4-acetamidophenyl)-2-(4-bromophenoxy)acetamide
CID 1097313
N-(3-bromo-4-methylphenyl)-2-(4-bromophenoxy)acetamide
CID 112977351
N-[3-[[2-(4-methoxyphenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide
CID 17231339
[2-(3-methoxyanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate
CID 2357826

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(4-bromophenoxy)acetyl]amino]phenyl]butanamide?
The IUPAC name of N-[3-[[2-(4-bromophenoxy)acetyl]amino]phenyl]butanamide (CID 1371979) is N-[3-[[2-(4-bromophenoxy)acetyl]amino]phenyl]butanamide.
What is the SMILES notation for N-[3-[[2-(4-bromophenoxy)acetyl]amino]phenyl]butanamide?
The canonical SMILES for N-[3-[[2-(4-bromophenoxy)acetyl]amino]phenyl]butanamide is CCCC(=O)Nc1cccc(NC(=O)COc2ccc(Br)cc2)c1.
What is the InChIKey of N-[3-[[2-(4-bromophenoxy)acetyl]amino]phenyl]butanamide?
The InChIKey is LNHPBCNDNYKPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O3/c1-2-4-17(22)20-14-5-3-6-15(11-14)21-18(23)12-24-16-9-7-13(19)8-10-16/h3,5-11H,2,4,12H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N-[3-[[2-(4-bromophenoxy)acetyl]amino]phenyl]butanamide?
N-[3-[[2-(4-bromophenoxy)acetyl]amino]phenyl]butanamide has a molecular weight of 391.27 g/mol, XLogP of 4.21, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(4-bromophenoxy)acetyl]amino]phenyl]butanamide is sourced from PubChem (CID 1371979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).