methyl 3-[4-[(2,6-dichlorobenzoyl)amino]phenyl]propanoate;hydrochloride

C17H16Cl3NO3 — CID 141060915

IUPACmethyl 3-[4-[(2,6-dichlorobenzoyl)amino]phenyl]propanoate;hydrochloride
SMILESCOC(=O)CCc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1.Cl
InChIInChI=1S/C17H15Cl2NO3.ClH/c1-23-15(21)10-7-11-5-8-12(9-6-11)20-17(22)16-13(18)3-2-4-14(16)19;/h2-6,8-9H,7,10H2,1H3,(H,20,22);1H
InChIKeyWERMOVSYQMVQLY-UHFFFAOYSA-N
MW388.68 g/mol
LogP4.77
Rot. Bonds5

About methyl 3-[4-[(2,6-dichlorobenzoyl)amino]phenyl]propanoate;hydrochloride

methyl 3-[4-[(2,6-dichlorobenzoyl)amino]phenyl]propanoate;hydrochloride (PubChem CID 141060915) has the molecular formula C17H16Cl3NO3 and a molecular weight of 388.68 g/mol. Its IUPAC name is methyl 3-[4-[(2,6-dichlorobenzoyl)amino]phenyl]propanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 3-[4-[(2,6-dichlorobenzoyl)amino]phenyl]propanoate;hydrochloride
PubChem CID141060915
Molecular FormulaC17H16Cl3NO3
Molecular Weight388.68 g/mol
Exact Mass387.02
IUPAC Namemethyl 3-[4-[(2,6-dichlorobenzoyl)amino]phenyl]propanoate;hydrochloride
SMILESCOC(=O)CCc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1.Cl
InChIInChI=1S/C17H15Cl2NO3.ClH/c1-23-15(21)10-7-11-5-8-12(9-6-11)20-17(22)16-13(18)3-2-4-14(16)19;/h2-6,8-9H,7,10H2,1H3,(H,20,22);1H
InChIKeyWERMOVSYQMVQLY-UHFFFAOYSA-N
XLogP4.77
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.68
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[4-(2-hydroxyethyl)phenyl]-6-methoxybenzamide
CID 75381688
methyl 3-[4-[[4-(aminomethyl)benzoyl]amino]phenyl]propanoate;hydrochloride
CID 22362448
methyl (2S)-2-amino-3-[4-[(2,6-dichlorobenzoyl)amino]phenyl]propanoate;hydrochloride
CID 23383932
2,6-dichloro-N-(4-methylphenyl)benzamide
CID 5152296
2,6-dichloro-N-(3,5-dimethoxyphenyl)benzamide
CID 891393
N-[4-(aminomethyl)phenyl]-2-chloro-6-fluorobenzamide
CID 28754405
[4-(thiophene-2-carbonylamino)phenyl] 3-(4-methoxyphenyl)propanoate
CID 34756076
(4-acetamidophenyl) 3-(4-chlorophenyl)propanoate
CID 51277629
methyl 3-[4-(4-phenylphenyl)phenyl]propanoate
CID 69206363
oxan-4-yl 3-[4-[(3,5-dichloropyridine-4-carbonyl)amino]phenyl]propanoate
CID 141067804
methyl 3-[4-[4-(3-methoxy-3-oxopropyl)phenoxy]phenyl]propanoate
CID 12706785
methyl 3-[4-(bromomethyl)phenyl]propanoate
CID 54283580

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-[(2,6-dichlorobenzoyl)amino]phenyl]propanoate;hydrochloride?
The IUPAC name of methyl 3-[4-[(2,6-dichlorobenzoyl)amino]phenyl]propanoate;hydrochloride (CID 141060915) is methyl 3-[4-[(2,6-dichlorobenzoyl)amino]phenyl]propanoate;hydrochloride.
What is the SMILES notation for methyl 3-[4-[(2,6-dichlorobenzoyl)amino]phenyl]propanoate;hydrochloride?
The canonical SMILES for methyl 3-[4-[(2,6-dichlorobenzoyl)amino]phenyl]propanoate;hydrochloride is COC(=O)CCc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1.Cl.
What is the InChIKey of methyl 3-[4-[(2,6-dichlorobenzoyl)amino]phenyl]propanoate;hydrochloride?
The InChIKey is WERMOVSYQMVQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2NO3.ClH/c1-23-15(21)10-7-11-5-8-12(9-6-11)20-17(22)16-13(18)3-2-4-14(16)19;/h2-6,8-9H,7,10H2,1H3,(H,20,22);1H.
What are the key properties of methyl 3-[4-[(2,6-dichlorobenzoyl)amino]phenyl]propanoate;hydrochloride?
methyl 3-[4-[(2,6-dichlorobenzoyl)amino]phenyl]propanoate;hydrochloride has a molecular weight of 388.68 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-[(2,6-dichlorobenzoyl)amino]phenyl]propanoate;hydrochloride is sourced from PubChem (CID 141060915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).