N'-[(2S)-2-(2,4-dichlorophenoxy)propanoyl]-4-methoxybenzohydrazide

C17H16Cl2N2O4 — CID 1104980

IUPACN'-[(2S)-2-(2,4-dichlorophenoxy)propanoyl]-4-methoxybenzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C17H16Cl2N2O4/c1-10(25-15-8-5-12(18)9-14(15)19)16(22)20-21-17(23)11-3-6-13(24-2)7-4-11/h3-10H,1-2H3,(H,20,22)(H,21,23)/t10-/m0/s1
InChIKeyDLQWXZDYFWCQPD-JTQLQIEISA-N
MW383.23 g/mol
LogP3.23
Rot. Bonds5

About N'-[(2S)-2-(2,4-dichlorophenoxy)propanoyl]-4-methoxybenzohydrazide

N'-[(2S)-2-(2,4-dichlorophenoxy)propanoyl]-4-methoxybenzohydrazide (PubChem CID 1104980) has the molecular formula C17H16Cl2N2O4 and a molecular weight of 383.23 g/mol. Its IUPAC name is N'-[(2S)-2-(2,4-dichlorophenoxy)propanoyl]-4-methoxybenzohydrazide.

Molecular Properties

Compound NameN'-[(2S)-2-(2,4-dichlorophenoxy)propanoyl]-4-methoxybenzohydrazide
PubChem CID1104980
Molecular FormulaC17H16Cl2N2O4
Molecular Weight383.23 g/mol
Exact Mass382.05
IUPAC NameN'-[(2S)-2-(2,4-dichlorophenoxy)propanoyl]-4-methoxybenzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C17H16Cl2N2O4/c1-10(25-15-8-5-12(18)9-14(15)19)16(22)20-21-17(23)11-3-6-13(24-2)7-4-11/h3-10H,1-2H3,(H,20,22)(H,21,23)/t10-/m0/s1
InChIKeyDLQWXZDYFWCQPD-JTQLQIEISA-N
XLogP3.23
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.23
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-N',4-N'-bis[2-(2,4-dichlorophenoxy)propanoyl]benzene-1,4-dicarbohydrazide
CID 3359373
N'-[2-(2,4-dichlorophenoxy)propanoyl]-4-propan-2-ylbenzohydrazide
CID 17177533
4-bromo-N'-[(2R)-2-(2,4-dichlorophenoxy)propanoyl]benzohydrazide
CID 1107974
(2R)-2-(2,4-dichlorophenoxy)-N-(4-methoxyphenyl)propanamide
CID 697237
N-[4-[[[(2R)-2-(2,4-dichlorophenoxy)propanoyl]amino]carbamoyl]phenyl]benzamide
CID 2210922
4-methoxy-N'-[2-(2-methoxyphenoxy)propanoyl]benzohydrazide
CID 4943348
3-chloro-N'-[2-(2,4-dichlorophenoxy)propanoyl]-6-methoxy-1-benzothiophene-2-carbohydrazide
CID 3432281
3-bromo-N'-[2-(2,4-dichlorophenoxy)propanoyl]benzohydrazide
CID 54790817
2-(2,4-dichlorophenoxy)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 3120270
N'-[2-(2,4-dichlorophenoxy)propanoyl]-2-(4-fluorophenoxy)propanehydrazide
CID 43004127
[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] (2S)-2-(2,4-dichlorophenoxy)propanoate
CID 7872946
N'-[2-(2,4-dichlorophenoxy)propanoyl]-4-(oxolan-2-ylmethoxy)benzohydrazide
CID 17222499

Frequently Asked Questions

What is the IUPAC name of N'-[(2S)-2-(2,4-dichlorophenoxy)propanoyl]-4-methoxybenzohydrazide?
The IUPAC name of N'-[(2S)-2-(2,4-dichlorophenoxy)propanoyl]-4-methoxybenzohydrazide (CID 1104980) is N'-[(2S)-2-(2,4-dichlorophenoxy)propanoyl]-4-methoxybenzohydrazide.
What is the SMILES notation for N'-[(2S)-2-(2,4-dichlorophenoxy)propanoyl]-4-methoxybenzohydrazide?
The canonical SMILES for N'-[(2S)-2-(2,4-dichlorophenoxy)propanoyl]-4-methoxybenzohydrazide is COc1ccc(C(=O)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of N'-[(2S)-2-(2,4-dichlorophenoxy)propanoyl]-4-methoxybenzohydrazide?
The InChIKey is DLQWXZDYFWCQPD-JTQLQIEISA-N. The full InChI is InChI=1S/C17H16Cl2N2O4/c1-10(25-15-8-5-12(18)9-14(15)19)16(22)20-21-17(23)11-3-6-13(24-2)7-4-11/h3-10H,1-2H3,(H,20,22)(H,21,23)/t10-/m0/s1.
What are the key properties of N'-[(2S)-2-(2,4-dichlorophenoxy)propanoyl]-4-methoxybenzohydrazide?
N'-[(2S)-2-(2,4-dichlorophenoxy)propanoyl]-4-methoxybenzohydrazide has a molecular weight of 383.23 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2S)-2-(2,4-dichlorophenoxy)propanoyl]-4-methoxybenzohydrazide is sourced from PubChem (CID 1104980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).