N-[3-[[(2S)-2-(2,3-dichlorophenoxy)propanoyl]amino]phenyl]benzamide

C22H18Cl2N2O3 — CID 118259670

IUPACN-[3-[[(2S)-2-(2,3-dichlorophenoxy)propanoyl]amino]phenyl]benzamide
SMILESC[C@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1cccc(NC(=O)c2ccccc2)c1
InChIInChI=1S/C22H18Cl2N2O3/c1-14(29-19-12-6-11-18(23)20(19)24)21(27)25-16-9-5-10-17(13-16)26-22(28)15-7-3-2-4-8-15/h2-14H,1H3,(H,25,27)(H,26,28)/t14-/m0/s1
InChIKeyXQLVGSKAMQRHOB-AWEZNQCLSA-N
MW429.30 g/mol
LogP5.65
Rot. Bonds6

About N-[3-[[(2S)-2-(2,3-dichlorophenoxy)propanoyl]amino]phenyl]benzamide

N-[3-[[(2S)-2-(2,3-dichlorophenoxy)propanoyl]amino]phenyl]benzamide (PubChem CID 118259670) has the molecular formula C22H18Cl2N2O3 and a molecular weight of 429.30 g/mol. Its IUPAC name is N-[3-[[(2S)-2-(2,3-dichlorophenoxy)propanoyl]amino]phenyl]benzamide.

Molecular Properties

Compound NameN-[3-[[(2S)-2-(2,3-dichlorophenoxy)propanoyl]amino]phenyl]benzamide
PubChem CID118259670
Molecular FormulaC22H18Cl2N2O3
Molecular Weight429.30 g/mol
Exact Mass428.07
IUPAC NameN-[3-[[(2S)-2-(2,3-dichlorophenoxy)propanoyl]amino]phenyl]benzamide
SMILESC[C@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1cccc(NC(=O)c2ccccc2)c1
InChIInChI=1S/C22H18Cl2N2O3/c1-14(29-19-12-6-11-18(23)20(19)24)21(27)25-16-9-5-10-17(13-16)26-22(28)15-7-3-2-4-8-15/h2-14H,1H3,(H,25,27)(H,26,28)/t14-/m0/s1
InChIKeyXQLVGSKAMQRHOB-AWEZNQCLSA-N
XLogP5.65
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.30
LogP ≤ 55.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenoxy)-N-(3-propan-2-yloxyphenyl)propanamide
CID 17154741
(2R)-2-(2,3-dichlorophenoxy)-N-(3,5-dichlorophenyl)propanamide
CID 7787703
3-[2-(2,3-dichlorophenoxy)propanoylamino]-N-pyrazin-2-ylbenzamide
CID 47090619
N-[4-[2-(2-chlorophenoxy)propanoylamino]phenyl]-4-phenylbenzamide
CID 43887670
2-(2,3-dichlorophenoxy)-N-(3-nitrophenyl)propanamide
CID 42990450
N-[4-[(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl]oxyphenyl]benzamide
CID 9252923
2-(2,3-dichlorophenoxy)-N-(4-fluorophenyl)propanamide
CID 42990420
N-[3-(4-tert-butylbenzoyl)phenyl]-2-(2-chlorophenoxy)propanamide
CID 43908425
N-[4-[2-(2-methylphenoxy)propanoylamino]phenyl]benzamide
CID 17235390
N-[3-(2-amino-2-oxoethoxy)phenyl]-2-(2,3-dichlorophenoxy)propanamide
CID 43078117
(2S)-2-(2-methylphenoxy)-N-[3-[[(2R)-2-(2-methylphenoxy)propanoyl]amino]phenyl]propanamide
CID 1019898
2-(2,3-dichlorophenoxy)-N-quinolin-3-ylpropanamide
CID 46453335

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(2S)-2-(2,3-dichlorophenoxy)propanoyl]amino]phenyl]benzamide?
The IUPAC name of N-[3-[[(2S)-2-(2,3-dichlorophenoxy)propanoyl]amino]phenyl]benzamide (CID 118259670) is N-[3-[[(2S)-2-(2,3-dichlorophenoxy)propanoyl]amino]phenyl]benzamide.
What is the SMILES notation for N-[3-[[(2S)-2-(2,3-dichlorophenoxy)propanoyl]amino]phenyl]benzamide?
The canonical SMILES for N-[3-[[(2S)-2-(2,3-dichlorophenoxy)propanoyl]amino]phenyl]benzamide is C[C@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1cccc(NC(=O)c2ccccc2)c1.
What is the InChIKey of N-[3-[[(2S)-2-(2,3-dichlorophenoxy)propanoyl]amino]phenyl]benzamide?
The InChIKey is XQLVGSKAMQRHOB-AWEZNQCLSA-N. The full InChI is InChI=1S/C22H18Cl2N2O3/c1-14(29-19-12-6-11-18(23)20(19)24)21(27)25-16-9-5-10-17(13-16)26-22(28)15-7-3-2-4-8-15/h2-14H,1H3,(H,25,27)(H,26,28)/t14-/m0/s1.
What are the key properties of N-[3-[[(2S)-2-(2,3-dichlorophenoxy)propanoyl]amino]phenyl]benzamide?
N-[3-[[(2S)-2-(2,3-dichlorophenoxy)propanoyl]amino]phenyl]benzamide has a molecular weight of 429.30 g/mol, XLogP of 5.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(2S)-2-(2,3-dichlorophenoxy)propanoyl]amino]phenyl]benzamide is sourced from PubChem (CID 118259670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).