N-[4-[[2-(2,4-dichlorophenoxy)propanoylamino]carbamoyl]phenyl]pentanamide

C21H23Cl2N3O4 — CID 4926324

IUPACN-[4-[[2-(2,4-dichlorophenoxy)propanoylamino]carbamoyl]phenyl]pentanamide
SMILESCCCCC(=O)Nc1ccc(C(=O)NNC(=O)C(C)Oc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C21H23Cl2N3O4/c1-3-4-5-19(27)24-16-9-6-14(7-10-16)21(29)26-25-20(28)13(2)30-18-11-8-15(22)12-17(18)23/h6-13H,3-5H2,1-2H3,(H,24,27)(H,25,28)(H,26,29)
InChIKeyMFGCQFDDYFXTQK-UHFFFAOYSA-N
MW452.34 g/mol
LogP4.35
Rot. Bonds8

About N-[4-[[2-(2,4-dichlorophenoxy)propanoylamino]carbamoyl]phenyl]pentanamide

N-[4-[[2-(2,4-dichlorophenoxy)propanoylamino]carbamoyl]phenyl]pentanamide (PubChem CID 4926324) has the molecular formula C21H23Cl2N3O4 and a molecular weight of 452.34 g/mol. Its IUPAC name is N-[4-[[2-(2,4-dichlorophenoxy)propanoylamino]carbamoyl]phenyl]pentanamide.

Molecular Properties

Compound NameN-[4-[[2-(2,4-dichlorophenoxy)propanoylamino]carbamoyl]phenyl]pentanamide
PubChem CID4926324
Molecular FormulaC21H23Cl2N3O4
Molecular Weight452.34 g/mol
Exact Mass451.11
IUPAC NameN-[4-[[2-(2,4-dichlorophenoxy)propanoylamino]carbamoyl]phenyl]pentanamide
SMILESCCCCC(=O)Nc1ccc(C(=O)NNC(=O)C(C)Oc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C21H23Cl2N3O4/c1-3-4-5-19(27)24-16-9-6-14(7-10-16)21(29)26-25-20(28)13(2)30-18-11-8-15(22)12-17(18)23/h6-13H,3-5H2,1-2H3,(H,24,27)(H,25,28)(H,26,29)
InChIKeyMFGCQFDDYFXTQK-UHFFFAOYSA-N
XLogP4.35
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.34
LogP ≤ 54.35
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

N-[4-[[[2-(2,4-dichlorophenoxy)acetyl]amino]carbamoyl]phenyl]pentanamide
CID 4926287
1-N',4-N'-bis[2-(2,4-dichlorophenoxy)propanoyl]benzene-1,4-dicarbohydrazide
CID 3359373
N-[4-[[[(2R)-2-(2,4-dichlorophenoxy)propanoyl]amino]carbamoyl]phenyl]benzamide
CID 2210922
N'-[2-(2,4-dichlorophenoxy)propanoyl]-4-propan-2-ylbenzohydrazide
CID 17177533
N-[4-[[2-(3-methylphenoxy)propanoylamino]carbamoyl]phenyl]pentanamide
CID 4931446
4-bromo-N'-[(2R)-2-(2,4-dichlorophenoxy)propanoyl]benzohydrazide
CID 1107974
N'-[(2S)-2-(2,4-dichlorophenoxy)propanoyl]-4-methoxybenzohydrazide
CID 1104980
N-[4-[[(3-chlorobenzoyl)amino]carbamoyl]phenyl]pentanamide
CID 4940346
2-(2,4-dichlorophenoxy)-N-(4-heptoxyphenyl)propanamide
CID 4951504
N-[4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]phenyl]-2-methylpropanamide
CID 1293450
(2R)-N-(4-acetamidophenyl)-2-(2,4-dichlorophenoxy)propanamide
CID 1010932
methyl 4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]benzoate
CID 1010111

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(2,4-dichlorophenoxy)propanoylamino]carbamoyl]phenyl]pentanamide?
The IUPAC name of N-[4-[[2-(2,4-dichlorophenoxy)propanoylamino]carbamoyl]phenyl]pentanamide (CID 4926324) is N-[4-[[2-(2,4-dichlorophenoxy)propanoylamino]carbamoyl]phenyl]pentanamide.
What is the SMILES notation for N-[4-[[2-(2,4-dichlorophenoxy)propanoylamino]carbamoyl]phenyl]pentanamide?
The canonical SMILES for N-[4-[[2-(2,4-dichlorophenoxy)propanoylamino]carbamoyl]phenyl]pentanamide is CCCCC(=O)Nc1ccc(C(=O)NNC(=O)C(C)Oc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of N-[4-[[2-(2,4-dichlorophenoxy)propanoylamino]carbamoyl]phenyl]pentanamide?
The InChIKey is MFGCQFDDYFXTQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23Cl2N3O4/c1-3-4-5-19(27)24-16-9-6-14(7-10-16)21(29)26-25-20(28)13(2)30-18-11-8-15(22)12-17(18)23/h6-13H,3-5H2,1-2H3,(H,24,27)(H,25,28)(H,26,29).
What are the key properties of N-[4-[[2-(2,4-dichlorophenoxy)propanoylamino]carbamoyl]phenyl]pentanamide?
N-[4-[[2-(2,4-dichlorophenoxy)propanoylamino]carbamoyl]phenyl]pentanamide has a molecular weight of 452.34 g/mol, XLogP of 4.35, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(2,4-dichlorophenoxy)propanoylamino]carbamoyl]phenyl]pentanamide is sourced from PubChem (CID 4926324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).