2-[[(2S)-2-(4-chloro-3-methylphenoxy)propanoyl]amino]-N-(2-methoxyethyl)benzamide

C20H23ClN2O4 — CID 94595467

IUPAC2-[[(2S)-2-(4-chloro-3-methylphenoxy)propanoyl]amino]-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccc(Cl)c(C)c1
InChIInChI=1S/C20H23ClN2O4/c1-13-12-15(8-9-17(13)21)27-14(2)19(24)23-18-7-5-4-6-16(18)20(25)22-10-11-26-3/h4-9,12,14H,10-11H2,1-3H3,(H,22,25)(H,23,24)/t14-/m0/s1
InChIKeyRVMWHFLNBKSXNB-AWEZNQCLSA-N
MW390.87 g/mol
LogP3.43
Rot. Bonds8

About 2-[[(2S)-2-(4-chloro-3-methylphenoxy)propanoyl]amino]-N-(2-methoxyethyl)benzamide

2-[[(2S)-2-(4-chloro-3-methylphenoxy)propanoyl]amino]-N-(2-methoxyethyl)benzamide (PubChem CID 94595467) has the molecular formula C20H23ClN2O4 and a molecular weight of 390.87 g/mol. Its IUPAC name is 2-[[(2S)-2-(4-chloro-3-methylphenoxy)propanoyl]amino]-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name2-[[(2S)-2-(4-chloro-3-methylphenoxy)propanoyl]amino]-N-(2-methoxyethyl)benzamide
PubChem CID94595467
Molecular FormulaC20H23ClN2O4
Molecular Weight390.87 g/mol
Exact Mass390.13
IUPAC Name2-[[(2S)-2-(4-chloro-3-methylphenoxy)propanoyl]amino]-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccc(Cl)c(C)c1
InChIInChI=1S/C20H23ClN2O4/c1-13-12-15(8-9-17(13)21)27-14(2)19(24)23-18-7-5-4-6-16(18)20(25)22-10-11-26-3/h4-9,12,14H,10-11H2,1-3H3,(H,22,25)(H,23,24)/t14-/m0/s1
InChIKeyRVMWHFLNBKSXNB-AWEZNQCLSA-N
XLogP3.43
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.87
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-2-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]benzamide
CID 9173265
2-[2-(3-chlorophenoxy)propanoylamino]-N-(2-methoxyethyl)benzamide
CID 43908435
2-[[(2R)-2-(4-fluorophenoxy)propanoyl]amino]-N-(2-methoxyethyl)benzamide
CID 26076449
2-[2-(4-bromophenoxy)propanoylamino]-N-(2-methoxyethyl)benzamide
CID 132666482
2-[[(2R)-2-(2,4-dimethylphenoxy)propanoyl]amino]-N-(2-methoxyethyl)benzamide
CID 9172865
2-[[(2R)-2-(4-chloro-3-methylphenoxy)propanoyl]amino]-N-(pyridin-3-ylmethyl)benzamide
CID 94876781
2-[[(2R)-2-(3,4-dimethylphenoxy)butanoyl]amino]-N-(2-methoxyethyl)benzamide
CID 92685868
N-(2-aminoethyl)-2-[2-(3-methyl-4-propan-2-ylphenoxy)propanoylamino]benzamide
CID 120603874
2-(4-chloro-3-methylphenoxy)-N-(2-methoxyphenyl)propanamide
CID 53265989
2-(4-chloro-3-methylphenoxy)-N-(3-methoxypropyl)propanamide
CID 53288853
2-[2-(3-chlorophenoxy)propanoylamino]-N-propylbenzamide
CID 42906301
2-(4-chloro-3-methylphenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide
CID 2995669

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-(4-chloro-3-methylphenoxy)propanoyl]amino]-N-(2-methoxyethyl)benzamide?
The IUPAC name of 2-[[(2S)-2-(4-chloro-3-methylphenoxy)propanoyl]amino]-N-(2-methoxyethyl)benzamide (CID 94595467) is 2-[[(2S)-2-(4-chloro-3-methylphenoxy)propanoyl]amino]-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for 2-[[(2S)-2-(4-chloro-3-methylphenoxy)propanoyl]amino]-N-(2-methoxyethyl)benzamide?
The canonical SMILES for 2-[[(2S)-2-(4-chloro-3-methylphenoxy)propanoyl]amino]-N-(2-methoxyethyl)benzamide is COCCNC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccc(Cl)c(C)c1.
What is the InChIKey of 2-[[(2S)-2-(4-chloro-3-methylphenoxy)propanoyl]amino]-N-(2-methoxyethyl)benzamide?
The InChIKey is RVMWHFLNBKSXNB-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H23ClN2O4/c1-13-12-15(8-9-17(13)21)27-14(2)19(24)23-18-7-5-4-6-16(18)20(25)22-10-11-26-3/h4-9,12,14H,10-11H2,1-3H3,(H,22,25)(H,23,24)/t14-/m0/s1.
What are the key properties of 2-[[(2S)-2-(4-chloro-3-methylphenoxy)propanoyl]amino]-N-(2-methoxyethyl)benzamide?
2-[[(2S)-2-(4-chloro-3-methylphenoxy)propanoyl]amino]-N-(2-methoxyethyl)benzamide has a molecular weight of 390.87 g/mol, XLogP of 3.43, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-(4-chloro-3-methylphenoxy)propanoyl]amino]-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 94595467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).