[3-[(3,4-dichlorobenzoyl)amino]phenyl] propanoate

C16H13Cl2NO3 — CID 17341925

IUPAC[3-[(3,4-dichlorobenzoyl)amino]phenyl] propanoate
SMILESCCC(=O)Oc1cccc(NC(=O)c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C16H13Cl2NO3/c1-2-15(20)22-12-5-3-4-11(9-12)19-16(21)10-6-7-13(17)14(18)8-10/h3-9H,2H2,1H3,(H,19,21)
InChIKeyNCWJOERGOTXBMM-UHFFFAOYSA-N
MW338.19 g/mol
LogP4.56
Rot. Bonds4

About [3-[(3,4-dichlorobenzoyl)amino]phenyl] propanoate

[3-[(3,4-dichlorobenzoyl)amino]phenyl] propanoate (PubChem CID 17341925) has the molecular formula C16H13Cl2NO3 and a molecular weight of 338.19 g/mol. Its IUPAC name is [3-[(3,4-dichlorobenzoyl)amino]phenyl] propanoate.

Molecular Properties

Compound Name[3-[(3,4-dichlorobenzoyl)amino]phenyl] propanoate
PubChem CID17341925
Molecular FormulaC16H13Cl2NO3
Molecular Weight338.19 g/mol
Exact Mass337.03
IUPAC Name[3-[(3,4-dichlorobenzoyl)amino]phenyl] propanoate
SMILESCCC(=O)Oc1cccc(NC(=O)c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C16H13Cl2NO3/c1-2-15(20)22-12-5-3-4-11(9-12)19-16(21)10-6-7-13(17)14(18)8-10/h3-9H,2H2,1H3,(H,19,21)
InChIKeyNCWJOERGOTXBMM-UHFFFAOYSA-N
XLogP4.56
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.19
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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3,4-dichloro-N-[3-(chloromethyl)phenyl]benzamide
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3,4-dichloro-N-[3-(2,2-dimethylpropanoylamino)phenyl]benzamide
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[4-(pyridin-3-ylcarbamoyl)phenyl] propanoate
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[3-[[2-(2-methoxyphenyl)-1,3-dioxoisoindole-5-carbonyl]amino]phenyl] propanoate
CID 17342053
3-[(3,4-dichlorophenyl)methoxy]-N-(3-methylphenyl)benzamide
CID 8814570
N-(3,4-dichlorophenyl)-3-(2-ethoxyethoxy)benzamide
CID 17139550
[3-(methanesulfonamido)phenyl] propanoate
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N-[3-(2-aminoethoxy)phenyl]-3-chloro-4-hydroxybenzamide
CID 63121177
4-propan-2-yloxy-N-(3-propan-2-yloxyphenyl)benzamide
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CID 677956

Frequently Asked Questions

What is the IUPAC name of [3-[(3,4-dichlorobenzoyl)amino]phenyl] propanoate?
The IUPAC name of [3-[(3,4-dichlorobenzoyl)amino]phenyl] propanoate (CID 17341925) is [3-[(3,4-dichlorobenzoyl)amino]phenyl] propanoate.
What is the SMILES notation for [3-[(3,4-dichlorobenzoyl)amino]phenyl] propanoate?
The canonical SMILES for [3-[(3,4-dichlorobenzoyl)amino]phenyl] propanoate is CCC(=O)Oc1cccc(NC(=O)c2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of [3-[(3,4-dichlorobenzoyl)amino]phenyl] propanoate?
The InChIKey is NCWJOERGOTXBMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2NO3/c1-2-15(20)22-12-5-3-4-11(9-12)19-16(21)10-6-7-13(17)14(18)8-10/h3-9H,2H2,1H3,(H,19,21).
What are the key properties of [3-[(3,4-dichlorobenzoyl)amino]phenyl] propanoate?
[3-[(3,4-dichlorobenzoyl)amino]phenyl] propanoate has a molecular weight of 338.19 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3,4-dichlorobenzoyl)amino]phenyl] propanoate is sourced from PubChem (CID 17341925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).