N-[3-(4-bromoanilino)-3-oxopropyl]-2-(2-chlorophenoxy)propanamide

C18H18BrClN2O3 — CID 55952611

IUPACN-[3-(4-bromoanilino)-3-oxopropyl]-2-(2-chlorophenoxy)propanamide
SMILESCC(Oc1ccccc1Cl)C(=O)NCCC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C18H18BrClN2O3/c1-12(25-16-5-3-2-4-15(16)20)18(24)21-11-10-17(23)22-14-8-6-13(19)7-9-14/h2-9,12H,10-11H2,1H3,(H,21,24)(H,22,23)
InChIKeyHFTQNATXCIQZDA-UHFFFAOYSA-N
MW425.71 g/mol
LogP4.01
Rot. Bonds7

About N-[3-(4-bromoanilino)-3-oxopropyl]-2-(2-chlorophenoxy)propanamide

N-[3-(4-bromoanilino)-3-oxopropyl]-2-(2-chlorophenoxy)propanamide (PubChem CID 55952611) has the molecular formula C18H18BrClN2O3 and a molecular weight of 425.71 g/mol. Its IUPAC name is N-[3-(4-bromoanilino)-3-oxopropyl]-2-(2-chlorophenoxy)propanamide.

Molecular Properties

Compound NameN-[3-(4-bromoanilino)-3-oxopropyl]-2-(2-chlorophenoxy)propanamide
PubChem CID55952611
Molecular FormulaC18H18BrClN2O3
Molecular Weight425.71 g/mol
Exact Mass424.02
IUPAC NameN-[3-(4-bromoanilino)-3-oxopropyl]-2-(2-chlorophenoxy)propanamide
SMILESCC(Oc1ccccc1Cl)C(=O)NCCC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C18H18BrClN2O3/c1-12(25-16-5-3-2-4-15(16)20)18(24)21-11-10-17(23)22-14-8-6-13(19)7-9-14/h2-9,12H,10-11H2,1H3,(H,21,24)(H,22,23)
InChIKeyHFTQNATXCIQZDA-UHFFFAOYSA-N
XLogP4.01
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.71
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[2-(2-chlorophenoxy)propanoylamino]propanoate
CID 60739964
2-(2-chlorophenoxy)-N-[4-[[2-(2,4-dibromophenoxy)acetyl]amino]phenyl]propanamide
CID 43887726
2-(2-chlorophenoxy)-N-[4-[[2-(2-methylphenyl)acetyl]amino]phenyl]propanamide
CID 43887894
(2R)-N-[3-(4-bromoanilino)-3-oxopropyl]-2-prop-2-enoxypropanamide
CID 52511214
methyl 3-[4-[2-(2-chlorophenoxy)propanoylamino]anilino]-3-oxopropanoate
CID 43887896
N-(4-bromophenyl)-3-(2-chlorophenoxy)propanamide
CID 108789381
2-(2-chlorophenoxy)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]propanamide
CID 43915055
2-(2-chlorophenoxy)-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
CID 43058809
2-(2-chlorophenoxy)-N-[4-[[2-(2-methylphenoxy)acetyl]amino]phenyl]propanamide
CID 43887713
2-(2-chlorophenoxy)-N-[4-[3-(methylamino)-3-oxopropyl]phenyl]propanamide
CID 54780661
2-(2-chlorophenoxy)-N-[(2S)-2-hydroxypropyl]propanamide
CID 83030471
2-phenylethyl 4-[4-[2-(2-chlorophenoxy)propanoylamino]anilino]-4-oxobutanoate
CID 43887770

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-bromoanilino)-3-oxopropyl]-2-(2-chlorophenoxy)propanamide?
The IUPAC name of N-[3-(4-bromoanilino)-3-oxopropyl]-2-(2-chlorophenoxy)propanamide (CID 55952611) is N-[3-(4-bromoanilino)-3-oxopropyl]-2-(2-chlorophenoxy)propanamide.
What is the SMILES notation for N-[3-(4-bromoanilino)-3-oxopropyl]-2-(2-chlorophenoxy)propanamide?
The canonical SMILES for N-[3-(4-bromoanilino)-3-oxopropyl]-2-(2-chlorophenoxy)propanamide is CC(Oc1ccccc1Cl)C(=O)NCCC(=O)Nc1ccc(Br)cc1.
What is the InChIKey of N-[3-(4-bromoanilino)-3-oxopropyl]-2-(2-chlorophenoxy)propanamide?
The InChIKey is HFTQNATXCIQZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrClN2O3/c1-12(25-16-5-3-2-4-15(16)20)18(24)21-11-10-17(23)22-14-8-6-13(19)7-9-14/h2-9,12H,10-11H2,1H3,(H,21,24)(H,22,23).
What are the key properties of N-[3-(4-bromoanilino)-3-oxopropyl]-2-(2-chlorophenoxy)propanamide?
N-[3-(4-bromoanilino)-3-oxopropyl]-2-(2-chlorophenoxy)propanamide has a molecular weight of 425.71 g/mol, XLogP of 4.01, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-bromoanilino)-3-oxopropyl]-2-(2-chlorophenoxy)propanamide is sourced from PubChem (CID 55952611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).