N-[4-[[[(2R)-2-(2,4-dichlorophenoxy)propanoyl]amino]carbamoyl]phenyl]benzamide

C23H19Cl2N3O4 — CID 2210922

IUPACN-[4-[[[(2R)-2-(2,4-dichlorophenoxy)propanoyl]amino]carbamoyl]phenyl]benzamide
SMILESC[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C23H19Cl2N3O4/c1-14(32-20-12-9-17(24)13-19(20)25)21(29)27-28-23(31)16-7-10-18(11-8-16)26-22(30)15-5-3-2-4-6-15/h2-14H,1H3,(H,26,30)(H,27,29)(H,28,31)/t14-/m1/s1
InChIKeyJBIOMUUKQOYNBA-CQSZACIVSA-N
MW472.33 g/mol
LogP4.47
Rot. Bonds6

About N-[4-[[[(2R)-2-(2,4-dichlorophenoxy)propanoyl]amino]carbamoyl]phenyl]benzamide

N-[4-[[[(2R)-2-(2,4-dichlorophenoxy)propanoyl]amino]carbamoyl]phenyl]benzamide (PubChem CID 2210922) has the molecular formula C23H19Cl2N3O4 and a molecular weight of 472.33 g/mol. Its IUPAC name is N-[4-[[[(2R)-2-(2,4-dichlorophenoxy)propanoyl]amino]carbamoyl]phenyl]benzamide.

Molecular Properties

Compound NameN-[4-[[[(2R)-2-(2,4-dichlorophenoxy)propanoyl]amino]carbamoyl]phenyl]benzamide
PubChem CID2210922
Molecular FormulaC23H19Cl2N3O4
Molecular Weight472.33 g/mol
Exact Mass471.08
IUPAC NameN-[4-[[[(2R)-2-(2,4-dichlorophenoxy)propanoyl]amino]carbamoyl]phenyl]benzamide
SMILESC[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C23H19Cl2N3O4/c1-14(32-20-12-9-17(24)13-19(20)25)21(29)27-28-23(31)16-7-10-18(11-8-16)26-22(30)15-5-3-2-4-6-15/h2-14H,1H3,(H,26,30)(H,27,29)(H,28,31)/t14-/m1/s1
InChIKeyJBIOMUUKQOYNBA-CQSZACIVSA-N
XLogP4.47
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.33
LogP ≤ 54.47
H-Bond Donors ≤ 53
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
N-[4-[[2-(2,4-dichlorophenoxy)propanoylamino]carbamoyl]phenyl]pentanamide
CID 4926324
N'-[(2S)-2-(2,4-dichlorophenoxy)propanoyl]-4-methoxybenzohydrazide
CID 1104980
2-[2-[2-(2,4-dichlorophenoxy)propanoyl]hydrazinyl]-2-oxo-N-phenylacetamide
CID 17078734
N-[4-[[2-(2-methylphenoxy)propanoylamino]carbamoyl]phenyl]benzamide
CID 4931723
N-[[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]carbamothioyl]benzamide
CID 40529986
3-bromo-N'-[2-(2,4-dichlorophenoxy)propanoyl]benzohydrazide
CID 54790817
N-[4-[[[2-(2,4-dichlorophenoxy)acetyl]amino]carbamoyl]phenyl]benzamide
CID 3293473
2-[[2-(2,4-dichlorophenoxy)propanoylamino]carbamoyl]benzoic acid
CID 3349728
N'-[2-(2,4-dichlorophenoxy)propanoyl]-3-(2-phenoxyethoxy)benzohydrazide
CID 4955112

Frequently Asked Questions

What is the IUPAC name of N-[4-[[[(2R)-2-(2,4-dichlorophenoxy)propanoyl]amino]carbamoyl]phenyl]benzamide?
The IUPAC name of N-[4-[[[(2R)-2-(2,4-dichlorophenoxy)propanoyl]amino]carbamoyl]phenyl]benzamide (CID 2210922) is N-[4-[[[(2R)-2-(2,4-dichlorophenoxy)propanoyl]amino]carbamoyl]phenyl]benzamide.
What is the SMILES notation for N-[4-[[[(2R)-2-(2,4-dichlorophenoxy)propanoyl]amino]carbamoyl]phenyl]benzamide?
The canonical SMILES for N-[4-[[[(2R)-2-(2,4-dichlorophenoxy)propanoyl]amino]carbamoyl]phenyl]benzamide is C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1.
What is the InChIKey of N-[4-[[[(2R)-2-(2,4-dichlorophenoxy)propanoyl]amino]carbamoyl]phenyl]benzamide?
The InChIKey is JBIOMUUKQOYNBA-CQSZACIVSA-N. The full InChI is InChI=1S/C23H19Cl2N3O4/c1-14(32-20-12-9-17(24)13-19(20)25)21(29)27-28-23(31)16-7-10-18(11-8-16)26-22(30)15-5-3-2-4-6-15/h2-14H,1H3,(H,26,30)(H,27,29)(H,28,31)/t14-/m1/s1.
What are the key properties of N-[4-[[[(2R)-2-(2,4-dichlorophenoxy)propanoyl]amino]carbamoyl]phenyl]benzamide?
N-[4-[[[(2R)-2-(2,4-dichlorophenoxy)propanoyl]amino]carbamoyl]phenyl]benzamide has a molecular weight of 472.33 g/mol, XLogP of 4.47, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[[(2R)-2-(2,4-dichlorophenoxy)propanoyl]amino]carbamoyl]phenyl]benzamide is sourced from PubChem (CID 2210922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).