4-[2-(2-bromo-4-chlorophenoxy)propanoylamino]-N-cyclopropylbenzamide

C19H18BrClN2O3 — CID 42944501

IUPAC4-[2-(2-bromo-4-chlorophenoxy)propanoylamino]-N-cyclopropylbenzamide
SMILESCC(Oc1ccc(Cl)cc1Br)C(=O)Nc1ccc(C(=O)NC2CC2)cc1
InChIInChI=1S/C19H18BrClN2O3/c1-11(26-17-9-4-13(21)10-16(17)20)18(24)22-14-5-2-12(3-6-14)19(25)23-15-7-8-15/h2-6,9-11,15H,7-8H2,1H3,(H,22,24)(H,23,25)
InChIKeyDUFYXMGOIBVGMH-UHFFFAOYSA-N
MW437.72 g/mol
LogP4.40
Rot. Bonds6

About 4-[2-(2-bromo-4-chlorophenoxy)propanoylamino]-N-cyclopropylbenzamide

4-[2-(2-bromo-4-chlorophenoxy)propanoylamino]-N-cyclopropylbenzamide (PubChem CID 42944501) has the molecular formula C19H18BrClN2O3 and a molecular weight of 437.72 g/mol. Its IUPAC name is 4-[2-(2-bromo-4-chlorophenoxy)propanoylamino]-N-cyclopropylbenzamide.

Molecular Properties

Compound Name4-[2-(2-bromo-4-chlorophenoxy)propanoylamino]-N-cyclopropylbenzamide
PubChem CID42944501
Molecular FormulaC19H18BrClN2O3
Molecular Weight437.72 g/mol
Exact Mass436.02
IUPAC Name4-[2-(2-bromo-4-chlorophenoxy)propanoylamino]-N-cyclopropylbenzamide
SMILESCC(Oc1ccc(Cl)cc1Br)C(=O)Nc1ccc(C(=O)NC2CC2)cc1
InChIInChI=1S/C19H18BrClN2O3/c1-11(26-17-9-4-13(21)10-16(17)20)18(24)22-14-5-2-12(3-6-14)19(25)23-15-7-8-15/h2-6,9-11,15H,7-8H2,1H3,(H,22,24)(H,23,25)
InChIKeyDUFYXMGOIBVGMH-UHFFFAOYSA-N
XLogP4.40
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.72
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-aminophenyl)-2-(2-bromo-4-chlorophenoxy)propanamide
CID 43080396
2-(2-bromo-4-chlorophenoxy)-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide
CID 17196402
2-(2-bromo-4-chlorophenoxy)-N-(3,4-dimethylphenyl)propanamide
CID 4981315
3-[[(2S)-2-(4-chloro-2-methylphenoxy)propanoyl]amino]-N-cyclopropylbenzamide
CID 30126849
2-(2-bromo-4-chlorophenoxy)-N-[4-(propanoylamino)phenyl]propanamide
CID 17204918
2-(2-bromo-4-chlorophenoxy)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]propanamide
CID 24664550
(2R)-2-(2-bromo-4-chlorophenoxy)-N-(3,4-dimethoxyphenyl)propanamide
CID 8728140
N-cyclopropyl-3-[2-(2,4-dichlorophenoxy)propanoylamino]-4-methylbenzamide
CID 55783367
2-(2-bromo-4-chlorophenoxy)-N-(4-nitrophenyl)propanamide
CID 4981359
N-[4-[2-(2-bromo-4-chlorophenoxy)propanoylamino]phenyl]butanamide
CID 17202540
4-[2-(2-chlorophenoxy)propanoylamino]-N-cyclohexylbenzamide
CID 43878541
2-(2-bromo-4-chlorophenoxy)-N-naphthalen-2-ylpropanamide
CID 17231996

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-bromo-4-chlorophenoxy)propanoylamino]-N-cyclopropylbenzamide?
The IUPAC name of 4-[2-(2-bromo-4-chlorophenoxy)propanoylamino]-N-cyclopropylbenzamide (CID 42944501) is 4-[2-(2-bromo-4-chlorophenoxy)propanoylamino]-N-cyclopropylbenzamide.
What is the SMILES notation for 4-[2-(2-bromo-4-chlorophenoxy)propanoylamino]-N-cyclopropylbenzamide?
The canonical SMILES for 4-[2-(2-bromo-4-chlorophenoxy)propanoylamino]-N-cyclopropylbenzamide is CC(Oc1ccc(Cl)cc1Br)C(=O)Nc1ccc(C(=O)NC2CC2)cc1.
What is the InChIKey of 4-[2-(2-bromo-4-chlorophenoxy)propanoylamino]-N-cyclopropylbenzamide?
The InChIKey is DUFYXMGOIBVGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrClN2O3/c1-11(26-17-9-4-13(21)10-16(17)20)18(24)22-14-5-2-12(3-6-14)19(25)23-15-7-8-15/h2-6,9-11,15H,7-8H2,1H3,(H,22,24)(H,23,25).
What are the key properties of 4-[2-(2-bromo-4-chlorophenoxy)propanoylamino]-N-cyclopropylbenzamide?
4-[2-(2-bromo-4-chlorophenoxy)propanoylamino]-N-cyclopropylbenzamide has a molecular weight of 437.72 g/mol, XLogP of 4.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-bromo-4-chlorophenoxy)propanoylamino]-N-cyclopropylbenzamide is sourced from PubChem (CID 42944501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).