(2R)-2-(2,4-dichlorophenoxy)-N-[[4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]hydrazinylidene]cyclohexylidene]amino]propanamide

C24H24Cl4N4O4 — CID 124538013

IUPAC(2R)-2-(2,4-dichlorophenoxy)-N-[[4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]hydrazinylidene]cyclohexylidene]amino]propanamide
SMILESC[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NN=C1CCC(=NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C24H24Cl4N4O4/c1-13(35-21-9-3-15(25)11-19(21)27)23(33)31-29-17-5-7-18(8-6-17)30-32-24(34)14(2)36-22-10-4-16(26)12-20(22)28/h3-4,9-14H,5-8H2,1-2H3,(H,31,33)(H,32,34)/b29-17-,30-18+/t13-,14+
InChIKeyJODWIKLPMKKDBJ-PYYGADJDSA-N
MW574.29 g/mol
LogP6.05
Rot. Bonds8

About (2R)-2-(2,4-dichlorophenoxy)-N-[[4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]hydrazinylidene]cyclohexylidene]amino]propanamide

(2R)-2-(2,4-dichlorophenoxy)-N-[[4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]hydrazinylidene]cyclohexylidene]amino]propanamide (PubChem CID 124538013) has the molecular formula C24H24Cl4N4O4 and a molecular weight of 574.29 g/mol. Its IUPAC name is (2R)-2-(2,4-dichlorophenoxy)-N-[[4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]hydrazinylidene]cyclohexylidene]amino]propanamide.

Molecular Properties

Compound Name(2R)-2-(2,4-dichlorophenoxy)-N-[[4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]hydrazinylidene]cyclohexylidene]amino]propanamide
PubChem CID124538013
Molecular FormulaC24H24Cl4N4O4
Molecular Weight574.29 g/mol
Exact Mass572.06
IUPAC Name(2R)-2-(2,4-dichlorophenoxy)-N-[[4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]hydrazinylidene]cyclohexylidene]amino]propanamide
SMILESC[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NN=C1CCC(=NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C24H24Cl4N4O4/c1-13(35-21-9-3-15(25)11-19(21)27)23(33)31-29-17-5-7-18(8-6-17)30-32-24(34)14(2)36-22-10-4-16(26)12-20(22)28/h3-4,9-14H,5-8H2,1-2H3,(H,31,33)(H,32,34)/b29-17-,30-18+/t13-,14+
InChIKeyJODWIKLPMKKDBJ-PYYGADJDSA-N
XLogP6.05
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.29
LogP ≤ 56.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(2,4-dichlorophenoxy)-N-[[4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]hydrazinylidene]cyclohexylidene]amino]propanamide
CID 124538015
N-(cyclododecylideneamino)-2-(2,4-dichlorophenoxy)propanamide
CID 4220293
2-(4-chloro-2-methylphenoxy)-N-[(1-ethylpiperidin-4-ylidene)amino]propanamide
CID 4601876
(2R)-N-cyclopropyl-2-(2,4-dichlorophenoxy)propanamide
CID 898786
(2S)-N-cyclopropyl-2-(2,4-dichlorophenoxy)propanamide
CID 898785
2-(2,4-dichlorophenoxy)propanoic acid
CID 8427
3-[2-(2,4-dichlorophenoxy)propanoylamino]-2-hydroxypropanoic acid
CID 66165822
(2R)-2-(2,4-dichlorophenoxy)-N-[(2R)-2-hydroxypropyl]propanamide
CID 39950205
(2S)-2-[2-(2,4-dichlorophenoxy)propanoylamino]-3-methylbutanoic acid
CID 61138004
azane;2-(2,4-dichlorophenoxy)propanoic acid
CID 173303839
(2S)-2-(2,4-dichlorophenoxy)-N-[(2S)-pentan-2-yl]propanamide
CID 2169643
2-(4-chlorophenoxy)-N-(cyclohexylideneamino)propanamide
CID 3584693

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,4-dichlorophenoxy)-N-[[4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]hydrazinylidene]cyclohexylidene]amino]propanamide?
The IUPAC name of (2R)-2-(2,4-dichlorophenoxy)-N-[[4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]hydrazinylidene]cyclohexylidene]amino]propanamide (CID 124538013) is (2R)-2-(2,4-dichlorophenoxy)-N-[[4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]hydrazinylidene]cyclohexylidene]amino]propanamide.
What is the SMILES notation for (2R)-2-(2,4-dichlorophenoxy)-N-[[4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]hydrazinylidene]cyclohexylidene]amino]propanamide?
The canonical SMILES for (2R)-2-(2,4-dichlorophenoxy)-N-[[4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]hydrazinylidene]cyclohexylidene]amino]propanamide is C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NN=C1CCC(=NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of (2R)-2-(2,4-dichlorophenoxy)-N-[[4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]hydrazinylidene]cyclohexylidene]amino]propanamide?
The InChIKey is JODWIKLPMKKDBJ-PYYGADJDSA-N. The full InChI is InChI=1S/C24H24Cl4N4O4/c1-13(35-21-9-3-15(25)11-19(21)27)23(33)31-29-17-5-7-18(8-6-17)30-32-24(34)14(2)36-22-10-4-16(26)12-20(22)28/h3-4,9-14H,5-8H2,1-2H3,(H,31,33)(H,32,34)/b29-17-,30-18+/t13-,14+.
What are the key properties of (2R)-2-(2,4-dichlorophenoxy)-N-[[4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]hydrazinylidene]cyclohexylidene]amino]propanamide?
(2R)-2-(2,4-dichlorophenoxy)-N-[[4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]hydrazinylidene]cyclohexylidene]amino]propanamide has a molecular weight of 574.29 g/mol, XLogP of 6.05, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,4-dichlorophenoxy)-N-[[4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]hydrazinylidene]cyclohexylidene]amino]propanamide is sourced from PubChem (CID 124538013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).