3-[2-(2-bromo-4-chlorophenoxy)propanoylamino]-N,N-dimethylbenzamide

C18H18BrClN2O3 — CID 17231884

IUPAC3-[2-(2-bromo-4-chlorophenoxy)propanoylamino]-N,N-dimethylbenzamide
SMILESCC(Oc1ccc(Cl)cc1Br)C(=O)Nc1cccc(C(=O)N(C)C)c1
InChIInChI=1S/C18H18BrClN2O3/c1-11(25-16-8-7-13(20)10-15(16)19)17(23)21-14-6-4-5-12(9-14)18(24)22(2)3/h4-11H,1-3H3,(H,21,23)
InChIKeyDRDZCMPMZUSWNC-UHFFFAOYSA-N
MW425.71 g/mol
LogP4.21
Rot. Bonds5

About 3-[2-(2-bromo-4-chlorophenoxy)propanoylamino]-N,N-dimethylbenzamide

3-[2-(2-bromo-4-chlorophenoxy)propanoylamino]-N,N-dimethylbenzamide (PubChem CID 17231884) has the molecular formula C18H18BrClN2O3 and a molecular weight of 425.71 g/mol. Its IUPAC name is 3-[2-(2-bromo-4-chlorophenoxy)propanoylamino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[2-(2-bromo-4-chlorophenoxy)propanoylamino]-N,N-dimethylbenzamide
PubChem CID17231884
Molecular FormulaC18H18BrClN2O3
Molecular Weight425.71 g/mol
Exact Mass424.02
IUPAC Name3-[2-(2-bromo-4-chlorophenoxy)propanoylamino]-N,N-dimethylbenzamide
SMILESCC(Oc1ccc(Cl)cc1Br)C(=O)Nc1cccc(C(=O)N(C)C)c1
InChIInChI=1S/C18H18BrClN2O3/c1-11(25-16-8-7-13(20)10-15(16)19)17(23)21-14-6-4-5-12(9-14)18(24)22(2)3/h4-11H,1-3H3,(H,21,23)
InChIKeyDRDZCMPMZUSWNC-UHFFFAOYSA-N
XLogP4.21
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.71
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-4-chlorophenoxy)-N-(3-fluorophenyl)propanamide
CID 54788434
3-[2-(2-bromo-4-chlorophenoxy)propanoylamino]-N-(3-chloro-4-fluorophenyl)benzamide
CID 43877946
2-(2-bromo-4-chlorophenoxy)-N-[3-(morpholine-4-carbonyl)phenyl]propanamide
CID 17205542
3-[[(2S)-2-(4-bromophenoxy)propanoyl]amino]-N,N-dimethylbenzamide
CID 30378577
N-[3-[2-(2-bromo-4-chlorophenoxy)propanoylamino]phenyl]butanamide
CID 17187626
3-[2-(2,4-dichlorophenoxy)propanoylamino]-N-methyl-N-phenylbenzamide
CID 17227762
2-(2-bromo-4-chlorophenoxy)-N-naphthalen-2-ylpropanamide
CID 17231996
(2R)-2-(2-bromo-4-chlorophenoxy)-N-(3,4-dimethoxyphenyl)propanamide
CID 8728140
(2R)-N-(3-bromophenyl)-2-(4-chloro-2-methylphenoxy)propanamide
CID 1009322
2-(2-bromo-4-chlorophenoxy)-N-(3,4-dimethylphenyl)propanamide
CID 4981315
2-(2-bromo-4-chlorophenoxy)-N-(3-butoxyphenyl)propanamide
CID 17095115
3-[2-(2,6-dimethylphenoxy)propanoylamino]-N,N-dimethylbenzamide
CID 17231878

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-bromo-4-chlorophenoxy)propanoylamino]-N,N-dimethylbenzamide?
The IUPAC name of 3-[2-(2-bromo-4-chlorophenoxy)propanoylamino]-N,N-dimethylbenzamide (CID 17231884) is 3-[2-(2-bromo-4-chlorophenoxy)propanoylamino]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[2-(2-bromo-4-chlorophenoxy)propanoylamino]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[2-(2-bromo-4-chlorophenoxy)propanoylamino]-N,N-dimethylbenzamide is CC(Oc1ccc(Cl)cc1Br)C(=O)Nc1cccc(C(=O)N(C)C)c1.
What is the InChIKey of 3-[2-(2-bromo-4-chlorophenoxy)propanoylamino]-N,N-dimethylbenzamide?
The InChIKey is DRDZCMPMZUSWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrClN2O3/c1-11(25-16-8-7-13(20)10-15(16)19)17(23)21-14-6-4-5-12(9-14)18(24)22(2)3/h4-11H,1-3H3,(H,21,23).
What are the key properties of 3-[2-(2-bromo-4-chlorophenoxy)propanoylamino]-N,N-dimethylbenzamide?
3-[2-(2-bromo-4-chlorophenoxy)propanoylamino]-N,N-dimethylbenzamide has a molecular weight of 425.71 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-bromo-4-chlorophenoxy)propanoylamino]-N,N-dimethylbenzamide is sourced from PubChem (CID 17231884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).