N-[2-[2-[(2R)-2-(3-bromophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]furan-2-carboxamide

C16H16BrN3O5 — CID 9370870

IUPACN-[2-[2-[(2R)-2-(3-bromophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]furan-2-carboxamide
SMILESC[C@@H](Oc1cccc(Br)c1)C(=O)NNC(=O)CNC(=O)c1ccco1
InChIInChI=1S/C16H16BrN3O5/c1-10(25-12-5-2-4-11(17)8-12)15(22)20-19-14(21)9-18-16(23)13-6-3-7-24-13/h2-8,10H,9H2,1H3,(H,18,23)(H,19,21)(H,20,22)/t10-/m1/s1
InChIKeyLODDAHCJJZUEPL-SNVBAGLBSA-N
MW410.22 g/mol
LogP1.39
Rot. Bonds6

About N-[2-[2-[(2R)-2-(3-bromophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]furan-2-carboxamide

N-[2-[2-[(2R)-2-(3-bromophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]furan-2-carboxamide (PubChem CID 9370870) has the molecular formula C16H16BrN3O5 and a molecular weight of 410.22 g/mol. Its IUPAC name is N-[2-[2-[(2R)-2-(3-bromophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-[(2R)-2-(3-bromophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]furan-2-carboxamide
PubChem CID9370870
Molecular FormulaC16H16BrN3O5
Molecular Weight410.22 g/mol
Exact Mass409.03
IUPAC NameN-[2-[2-[(2R)-2-(3-bromophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]furan-2-carboxamide
SMILESC[C@@H](Oc1cccc(Br)c1)C(=O)NNC(=O)CNC(=O)c1ccco1
InChIInChI=1S/C16H16BrN3O5/c1-10(25-12-5-2-4-11(17)8-12)15(22)20-19-14(21)9-18-16(23)13-6-3-7-24-13/h2-8,10H,9H2,1H3,(H,18,23)(H,19,21)(H,20,22)/t10-/m1/s1
InChIKeyLODDAHCJJZUEPL-SNVBAGLBSA-N
XLogP1.39
TPSA109.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.22
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-[2-[2-[2-(3-bromophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]furan-2-carboxamide
CID 55347873
N-[2-[2-[2-(3-bromophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]-4-tert-butylbenzamide
CID 55347760
(2R)-2-(3-bromophenoxy)-N'-[2-(3-fluorophenyl)acetyl]propanehydrazide
CID 9371318
1-[[(2S)-2-(3-bromophenoxy)propanoyl]amino]-3-(furan-2-ylmethyl)thiourea
CID 8770692
(2S)-2-(3-bromophenoxy)-N'-[2-(4-chlorophenyl)acetyl]propanehydrazide
CID 9371143
(2R)-2-(3-bromophenoxy)-N'-[2-(3,4-dimethylphenyl)acetyl]propanehydrazide
CID 9370726
N'-(2-phenoxypropanoyl)furan-2-carbohydrazide
CID 3693666
2-(3-bromophenoxy)-N'-(2-phenoxyacetyl)propanehydrazide
CID 51161488
(2R)-2-(3-bromophenoxy)-N'-(2-methylsulfanylacetyl)propanehydrazide
CID 9370776
(2S)-2-(3-bromophenoxy)-N'-[2-(2-fluorophenyl)acetyl]propanehydrazide
CID 9371251
N'-[2-(3-bromophenoxy)propanoyl]-2-methylbutanehydrazide
CID 43042560
2-(3-bromophenoxy)-N'-[2-(3-methoxy-4-methylphenyl)acetyl]propanehydrazide
CID 17496367

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[(2R)-2-(3-bromophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[2-[(2R)-2-(3-bromophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]furan-2-carboxamide (CID 9370870) is N-[2-[2-[(2R)-2-(3-bromophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[2-[(2R)-2-(3-bromophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[2-[(2R)-2-(3-bromophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]furan-2-carboxamide is C[C@@H](Oc1cccc(Br)c1)C(=O)NNC(=O)CNC(=O)c1ccco1.
What is the InChIKey of N-[2-[2-[(2R)-2-(3-bromophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]furan-2-carboxamide?
The InChIKey is LODDAHCJJZUEPL-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H16BrN3O5/c1-10(25-12-5-2-4-11(17)8-12)15(22)20-19-14(21)9-18-16(23)13-6-3-7-24-13/h2-8,10H,9H2,1H3,(H,18,23)(H,19,21)(H,20,22)/t10-/m1/s1.
What are the key properties of N-[2-[2-[(2R)-2-(3-bromophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]furan-2-carboxamide?
N-[2-[2-[(2R)-2-(3-bromophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 410.22 g/mol, XLogP of 1.39, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[(2R)-2-(3-bromophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 9370870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).