N-[4-[2-(3,5-dichlorophenoxy)acetyl]phenyl]-3-methylbutanamide

C19H19Cl2NO3 — CID 7467139

IUPACN-[4-[2-(3,5-dichlorophenoxy)acetyl]phenyl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1ccc(C(=O)COc2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C19H19Cl2NO3/c1-12(2)7-19(24)22-16-5-3-13(4-6-16)18(23)11-25-17-9-14(20)8-15(21)10-17/h3-6,8-10,12H,7,11H2,1-2H3,(H,22,24)
InChIKeyGKECLRQIECRLFH-UHFFFAOYSA-N
MW380.27 g/mol
LogP5.24
Rot. Bonds7

About N-[4-[2-(3,5-dichlorophenoxy)acetyl]phenyl]-3-methylbutanamide

N-[4-[2-(3,5-dichlorophenoxy)acetyl]phenyl]-3-methylbutanamide (PubChem CID 7467139) has the molecular formula C19H19Cl2NO3 and a molecular weight of 380.27 g/mol. Its IUPAC name is N-[4-[2-(3,5-dichlorophenoxy)acetyl]phenyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[4-[2-(3,5-dichlorophenoxy)acetyl]phenyl]-3-methylbutanamide
PubChem CID7467139
Molecular FormulaC19H19Cl2NO3
Molecular Weight380.27 g/mol
Exact Mass379.07
IUPAC NameN-[4-[2-(3,5-dichlorophenoxy)acetyl]phenyl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1ccc(C(=O)COc2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C19H19Cl2NO3/c1-12(2)7-19(24)22-16-5-3-13(4-6-16)18(23)11-25-17-9-14(20)8-15(21)10-17/h3-6,8-10,12H,7,11H2,1-2H3,(H,22,24)
InChIKeyGKECLRQIECRLFH-UHFFFAOYSA-N
XLogP5.24
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.27
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[2-(4-cyanophenoxy)acetyl]phenyl]-3-methylbutanamide
CID 7818621
[2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] 4-chlorobenzoate
CID 7797215
N-[4-[2-(2-methoxyphenoxy)acetyl]phenyl]-3-methylbutanamide
CID 7834385
[2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] 3,5-dimethoxybenzoate
CID 7988018
[2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] 4-methylbenzoate
CID 7971861
2-(3,5-dichlorophenoxy)-1-(4-propylphenyl)ethanone
CID 60623922
N-[4-[[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]carbamoyl]phenyl]-3-methylbutanamide
CID 17096580
4-(3-methylbutanoylamino)-N-propan-2-ylbenzamide
CID 47294536
[2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] 4-[(2-cyanoacetyl)amino]benzoate
CID 7808244
N-[4-[2-(3,5-dichlorophenoxy)acetyl]-2-methylsulfanylphenyl]acetamide
CID 60513452
cis-[2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] (1R,2S)-2-methylcyclopropane-1-carboxylate
CID 8020252
[2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] 3-bromobenzoate
CID 7663009

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(3,5-dichlorophenoxy)acetyl]phenyl]-3-methylbutanamide?
The IUPAC name of N-[4-[2-(3,5-dichlorophenoxy)acetyl]phenyl]-3-methylbutanamide (CID 7467139) is N-[4-[2-(3,5-dichlorophenoxy)acetyl]phenyl]-3-methylbutanamide.
What is the SMILES notation for N-[4-[2-(3,5-dichlorophenoxy)acetyl]phenyl]-3-methylbutanamide?
The canonical SMILES for N-[4-[2-(3,5-dichlorophenoxy)acetyl]phenyl]-3-methylbutanamide is CC(C)CC(=O)Nc1ccc(C(=O)COc2cc(Cl)cc(Cl)c2)cc1.
What is the InChIKey of N-[4-[2-(3,5-dichlorophenoxy)acetyl]phenyl]-3-methylbutanamide?
The InChIKey is GKECLRQIECRLFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2NO3/c1-12(2)7-19(24)22-16-5-3-13(4-6-16)18(23)11-25-17-9-14(20)8-15(21)10-17/h3-6,8-10,12H,7,11H2,1-2H3,(H,22,24).
What are the key properties of N-[4-[2-(3,5-dichlorophenoxy)acetyl]phenyl]-3-methylbutanamide?
N-[4-[2-(3,5-dichlorophenoxy)acetyl]phenyl]-3-methylbutanamide has a molecular weight of 380.27 g/mol, XLogP of 5.24, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(3,5-dichlorophenoxy)acetyl]phenyl]-3-methylbutanamide is sourced from PubChem (CID 7467139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).