N-[4-[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]phenyl]butanamide

C18H17BrCl2N2O3 — CID 17202569

IUPACN-[4-[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(NC(=O)COc2c(Cl)cc(Cl)cc2Br)cc1
InChIInChI=1S/C18H17BrCl2N2O3/c1-2-3-16(24)22-12-4-6-13(7-5-12)23-17(25)10-26-18-14(19)8-11(20)9-15(18)21/h4-9H,2-3,10H2,1H3,(H,22,24)(H,23,25)
InChIKeyNPRHHRPMXZJSBC-UHFFFAOYSA-N
MW460.16 g/mol
LogP5.51
Rot. Bonds7

About N-[4-[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]phenyl]butanamide

N-[4-[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]phenyl]butanamide (PubChem CID 17202569) has the molecular formula C18H17BrCl2N2O3 and a molecular weight of 460.16 g/mol. Its IUPAC name is N-[4-[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]phenyl]butanamide.

Molecular Properties

Compound NameN-[4-[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]phenyl]butanamide
PubChem CID17202569
Molecular FormulaC18H17BrCl2N2O3
Molecular Weight460.16 g/mol
Exact Mass457.98
IUPAC NameN-[4-[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(NC(=O)COc2c(Cl)cc(Cl)cc2Br)cc1
InChIInChI=1S/C18H17BrCl2N2O3/c1-2-3-16(24)22-12-4-6-13(7-5-12)23-17(25)10-26-18-14(19)8-11(20)9-15(18)21/h4-9H,2-3,10H2,1H3,(H,22,24)(H,23,25)
InChIKeyNPRHHRPMXZJSBC-UHFFFAOYSA-N
XLogP5.51
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.16
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-4,6-dichlorophenoxy)-N-(3,4-dimethylphenyl)acetamide
CID 17095271
2-(2-bromo-4,6-dichlorophenoxy)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 17095349
2-(2-bromo-4,6-dichlorophenoxy)-N-[4-(tert-butylsulfamoyl)phenyl]acetamide
CID 17095347
2-(2-bromo-4,6-dichlorophenoxy)-N-[4-(3-methylbutoxy)phenyl]acetamide
CID 17095423
N-[4-[[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]carbamoyl]phenyl]-3-methylbutanamide
CID 17096580
N-(4-methoxyphenyl)-2-(2,4,6-trichlorophenoxy)acetamide
CID 7275209
2-(2-bromo-4,6-dichlorophenoxy)-N-[4-[4-[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]-3-methylphenyl]-2-methylphenyl]acetamide
CID 19628023
N-[4-[[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]carbamoyl]phenyl]-2-methylpropanamide
CID 17096590
methyl N-[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]carbamate
CID 17096542
3-[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]-N-butan-2-ylbenzamide
CID 17198929
N-[4-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]phenyl]butanamide
CID 17202547
2-(2-bromo-4,6-dichlorophenoxy)-N-(2-fluorophenyl)acetamide
CID 17095373

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]phenyl]butanamide?
The IUPAC name of N-[4-[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]phenyl]butanamide (CID 17202569) is N-[4-[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]phenyl]butanamide.
What is the SMILES notation for N-[4-[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]phenyl]butanamide?
The canonical SMILES for N-[4-[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]phenyl]butanamide is CCCC(=O)Nc1ccc(NC(=O)COc2c(Cl)cc(Cl)cc2Br)cc1.
What is the InChIKey of N-[4-[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]phenyl]butanamide?
The InChIKey is NPRHHRPMXZJSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrCl2N2O3/c1-2-3-16(24)22-12-4-6-13(7-5-12)23-17(25)10-26-18-14(19)8-11(20)9-15(18)21/h4-9H,2-3,10H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N-[4-[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]phenyl]butanamide?
N-[4-[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]phenyl]butanamide has a molecular weight of 460.16 g/mol, XLogP of 5.51, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]phenyl]butanamide is sourced from PubChem (CID 17202569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).