2,4-dichloro-N-[4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]phenyl]benzamide

C22H16Cl4N2O3 — CID 42561530

IUPAC2,4-dichloro-N-[4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]phenyl]benzamide
SMILESC[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C22H16Cl4N2O3/c1-12(31-20-9-3-14(24)11-19(20)26)21(29)27-15-4-6-16(7-5-15)28-22(30)17-8-2-13(23)10-18(17)25/h2-12H,1H3,(H,27,29)(H,28,30)/t12-/m0/s1
InChIKeyJQPOGBOTSVBRRL-LBPRGKRZSA-N
MW498.19 g/mol
LogP6.96
Rot. Bonds6

About 2,4-dichloro-N-[4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]phenyl]benzamide

2,4-dichloro-N-[4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]phenyl]benzamide (PubChem CID 42561530) has the molecular formula C22H16Cl4N2O3 and a molecular weight of 498.19 g/mol. Its IUPAC name is 2,4-dichloro-N-[4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]phenyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]phenyl]benzamide
PubChem CID42561530
Molecular FormulaC22H16Cl4N2O3
Molecular Weight498.19 g/mol
Exact Mass495.99
IUPAC Name2,4-dichloro-N-[4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]phenyl]benzamide
SMILESC[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C22H16Cl4N2O3/c1-12(31-20-9-3-14(24)11-19(20)26)21(29)27-15-4-6-16(7-5-15)28-22(30)17-8-2-13(23)10-18(17)25/h2-12H,1H3,(H,27,29)(H,28,30)/t12-/m0/s1
InChIKeyJQPOGBOTSVBRRL-LBPRGKRZSA-N
XLogP6.96
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.19
LogP ≤ 56.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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
2-chloro-4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]benzoic acid
CID 28677019
(2R)-2-(2,4-dichlorophenoxy)-N-(4-propan-2-ylphenyl)propanamide
CID 1335441
N-(4-bromophenyl)-2-(2,4-dichlorophenoxy)propanamide
CID 2725599
(2R)-2-(2,4-dichlorophenoxy)-N-(4-methoxyphenyl)propanamide
CID 697237
(2R)-N-[4-(carbamothioylamino)phenyl]-2-(2,4-dichlorophenoxy)propanamide
CID 40652778
methyl 4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]benzoate
CID 1010111
2-(2,4-dichlorophenoxy)-N-[4-(difluoromethoxy)phenyl]propanamide
CID 42989366
(2S)-2-(2,4-dichlorophenoxy)-N-(3,4-dimethylphenyl)propanamide
CID 909534
N-(4-acetamidophenyl)-2,4-dichlorobenzamide
CID 786004
(2R)-2-(2,4-dichlorophenoxy)-N-naphthalen-2-ylpropanamide
CID 7723467

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]phenyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]phenyl]benzamide (CID 42561530) is 2,4-dichloro-N-[4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]phenyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]phenyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]phenyl]benzamide is C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 2,4-dichloro-N-[4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]phenyl]benzamide?
The InChIKey is JQPOGBOTSVBRRL-LBPRGKRZSA-N. The full InChI is InChI=1S/C22H16Cl4N2O3/c1-12(31-20-9-3-14(24)11-19(20)26)21(29)27-15-4-6-16(7-5-15)28-22(30)17-8-2-13(23)10-18(17)25/h2-12H,1H3,(H,27,29)(H,28,30)/t12-/m0/s1.
What are the key properties of 2,4-dichloro-N-[4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]phenyl]benzamide?
2,4-dichloro-N-[4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]phenyl]benzamide has a molecular weight of 498.19 g/mol, XLogP of 6.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]phenyl]benzamide is sourced from PubChem (CID 42561530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).