N-[2-[2-[(2R)-2-(2-fluorophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]-3,4-dimethoxybenzamide

C20H22FN3O6 — CID 41410915

IUPACN-[2-[2-[(2R)-2-(2-fluorophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCC(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)cc1OC
InChIInChI=1S/C20H22FN3O6/c1-12(30-15-7-5-4-6-14(15)21)19(26)24-23-18(25)11-22-20(27)13-8-9-16(28-2)17(10-13)29-3/h4-10,12H,11H2,1-3H3,(H,22,27)(H,23,25)(H,24,26)/t12-/m1/s1
InChIKeyJVSIFSQPGBMPLZ-GFCCVEGCSA-N
MW419.41 g/mol
LogP1.19
Rot. Bonds8

About N-[2-[2-[(2R)-2-(2-fluorophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]-3,4-dimethoxybenzamide

N-[2-[2-[(2R)-2-(2-fluorophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]-3,4-dimethoxybenzamide (PubChem CID 41410915) has the molecular formula C20H22FN3O6 and a molecular weight of 419.41 g/mol. Its IUPAC name is N-[2-[2-[(2R)-2-(2-fluorophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-[2-[(2R)-2-(2-fluorophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]-3,4-dimethoxybenzamide
PubChem CID41410915
Molecular FormulaC20H22FN3O6
Molecular Weight419.41 g/mol
Exact Mass419.15
IUPAC NameN-[2-[2-[(2R)-2-(2-fluorophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCC(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)cc1OC
InChIInChI=1S/C20H22FN3O6/c1-12(30-15-7-5-4-6-14(15)21)19(26)24-23-18(25)11-22-20(27)13-8-9-16(28-2)17(10-13)29-3/h4-10,12H,11H2,1-3H3,(H,22,27)(H,23,25)(H,24,26)/t12-/m1/s1
InChIKeyJVSIFSQPGBMPLZ-GFCCVEGCSA-N
XLogP1.19
TPSA114.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.41
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3,4-dimethoxy-N-[2-[2-[(2R)-2-naphthalen-2-yloxypropanoyl]hydrazinyl]-2-oxoethyl]benzamide
CID 41410730
2-[4-[[2-(2-fluorophenoxy)propanoylamino]carbamoyl]-2-methoxyphenoxy]acetamide
CID 55413100
N'-[2-(2-fluorophenoxy)propanoyl]-3-methoxy-4-methylbenzohydrazide
CID 24502964
4-chloro-N-[2-[2-[2-(2-fluorophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]pyridine-2-carboxamide
CID 24546305
N-[2-[2-[(2R)-2-(2-fluorophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide
CID 7910846
N-[2-[2-[2-(4-fluorophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 43004148
2-(2-fluorophenoxy)-N'-(2-methoxyacetyl)propanehydrazide
CID 47102861
(2S)-N'-[2-(5-chloro-2-methoxyphenyl)acetyl]-2-(2-fluorophenoxy)propanehydrazide
CID 9087471
N'-[(2S)-2-(2-fluorophenoxy)propanoyl]-4-methoxy-3-nitrobenzohydrazide
CID 7927420
N-[2-(2-fluorophenoxy)ethyl]-3,4-dimethoxybenzamide
CID 610361
N'-[2-(2-chlorophenoxy)propanoyl]-3,4-dimethoxybenzohydrazide
CID 4932300
N'-[(2S)-2-(2-fluorophenoxy)propanoyl]naphthalene-2-carbohydrazide
CID 7760964

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[(2R)-2-(2-fluorophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[2-[2-[(2R)-2-(2-fluorophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]-3,4-dimethoxybenzamide (CID 41410915) is N-[2-[2-[(2R)-2-(2-fluorophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[2-[2-[(2R)-2-(2-fluorophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[2-[2-[(2R)-2-(2-fluorophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)NCC(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)cc1OC.
What is the InChIKey of N-[2-[2-[(2R)-2-(2-fluorophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]-3,4-dimethoxybenzamide?
The InChIKey is JVSIFSQPGBMPLZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C20H22FN3O6/c1-12(30-15-7-5-4-6-14(15)21)19(26)24-23-18(25)11-22-20(27)13-8-9-16(28-2)17(10-13)29-3/h4-10,12H,11H2,1-3H3,(H,22,27)(H,23,25)(H,24,26)/t12-/m1/s1.
What are the key properties of N-[2-[2-[(2R)-2-(2-fluorophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]-3,4-dimethoxybenzamide?
N-[2-[2-[(2R)-2-(2-fluorophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]-3,4-dimethoxybenzamide has a molecular weight of 419.41 g/mol, XLogP of 1.19, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[(2R)-2-(2-fluorophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 41410915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).