methyl 5-[(2,4-dichlorobenzoyl)amino]-3-phenylpentanoate

C19H19Cl2NO3 — CID 54434965

IUPACmethyl 5-[(2,4-dichlorobenzoyl)amino]-3-phenylpentanoate
SMILESCOC(=O)CC(CCNC(=O)c1ccc(Cl)cc1Cl)c1ccccc1
InChIInChI=1S/C19H19Cl2NO3/c1-25-18(23)11-14(13-5-3-2-4-6-13)9-10-22-19(24)16-8-7-15(20)12-17(16)21/h2-8,12,14H,9-11H2,1H3,(H,22,24)
InChIKeyWKBVARSFUBNCHU-UHFFFAOYSA-N
MW380.27 g/mol
LogP4.46
Rot. Bonds7

About methyl 5-[(2,4-dichlorobenzoyl)amino]-3-phenylpentanoate

methyl 5-[(2,4-dichlorobenzoyl)amino]-3-phenylpentanoate (PubChem CID 54434965) has the molecular formula C19H19Cl2NO3 and a molecular weight of 380.27 g/mol. Its IUPAC name is methyl 5-[(2,4-dichlorobenzoyl)amino]-3-phenylpentanoate.

Molecular Properties

Compound Namemethyl 5-[(2,4-dichlorobenzoyl)amino]-3-phenylpentanoate
PubChem CID54434965
Molecular FormulaC19H19Cl2NO3
Molecular Weight380.27 g/mol
Exact Mass379.07
IUPAC Namemethyl 5-[(2,4-dichlorobenzoyl)amino]-3-phenylpentanoate
SMILESCOC(=O)CC(CCNC(=O)c1ccc(Cl)cc1Cl)c1ccccc1
InChIInChI=1S/C19H19Cl2NO3/c1-25-18(23)11-14(13-5-3-2-4-6-13)9-10-22-19(24)16-8-7-15(20)12-17(16)21/h2-8,12,14H,9-11H2,1H3,(H,22,24)
InChIKeyWKBVARSFUBNCHU-UHFFFAOYSA-N
XLogP4.46
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.27
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dichloro-N-[(2R)-2-(dimethylamino)-2-phenylethyl]benzamide
CID 27230027
2,4-dichloro-N-[2-[(2-chlorobenzoyl)amino]ethyl]benzamide
CID 46433349
2-chloro-N-[(3S)-5-hydroxy-3-phenylpentyl]benzamide
CID 99872819
5-chloro-2-fluoro-N-(3-hydroxy-3-phenylpropyl)benzamide
CID 111471543
2,4-dichloro-N-(4-methylpentyl)benzamide
CID 3288141
N-(3-amino-3-phenylpropyl)-2,5-dichlorobenzamide
CID 80507130
2-chloro-N-(3-hydroxy-3-phenylpropyl)-4,5-dimethylbenzamide
CID 110027727
2-[(2,4-dichlorobenzoyl)amino]-5-methoxy-5-oxopentanoic acid
CID 82780716
methyl 2-[(2,4-dichlorobenzoyl)amino]oxyacetate
CID 86120653
2,4-dichloro-N-(2-hydroxy-2-phenylpropyl)benzamide
CID 111335243
2,4-dichloro-N-[2-[(4-phenylbenzoyl)amino]ethyl]benzamide
CID 108570885
4-[(2-chlorobenzoyl)amino]-2-hydroxybutanoic acid
CID 107832377

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(2,4-dichlorobenzoyl)amino]-3-phenylpentanoate?
The IUPAC name of methyl 5-[(2,4-dichlorobenzoyl)amino]-3-phenylpentanoate (CID 54434965) is methyl 5-[(2,4-dichlorobenzoyl)amino]-3-phenylpentanoate.
What is the SMILES notation for methyl 5-[(2,4-dichlorobenzoyl)amino]-3-phenylpentanoate?
The canonical SMILES for methyl 5-[(2,4-dichlorobenzoyl)amino]-3-phenylpentanoate is COC(=O)CC(CCNC(=O)c1ccc(Cl)cc1Cl)c1ccccc1.
What is the InChIKey of methyl 5-[(2,4-dichlorobenzoyl)amino]-3-phenylpentanoate?
The InChIKey is WKBVARSFUBNCHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2NO3/c1-25-18(23)11-14(13-5-3-2-4-6-13)9-10-22-19(24)16-8-7-15(20)12-17(16)21/h2-8,12,14H,9-11H2,1H3,(H,22,24).
What are the key properties of methyl 5-[(2,4-dichlorobenzoyl)amino]-3-phenylpentanoate?
methyl 5-[(2,4-dichlorobenzoyl)amino]-3-phenylpentanoate has a molecular weight of 380.27 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(2,4-dichlorobenzoyl)amino]-3-phenylpentanoate is sourced from PubChem (CID 54434965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).