3-[3-(2,4-dichlorophenoxy)propanoylamino]-2-methylbenzamide

C17H16Cl2N2O3 — CID 87036675

IUPAC3-[3-(2,4-dichlorophenoxy)propanoylamino]-2-methylbenzamide
SMILESCc1c(NC(=O)CCOc2ccc(Cl)cc2Cl)cccc1C(N)=O
InChIInChI=1S/C17H16Cl2N2O3/c1-10-12(17(20)23)3-2-4-14(10)21-16(22)7-8-24-15-6-5-11(18)9-13(15)19/h2-6,9H,7-8H2,1H3,(H2,20,23)(H,21,22)
InChIKeyOCRRKZHMPWDZOK-UHFFFAOYSA-N
MW367.23 g/mol
LogP3.81
Rot. Bonds6

About 3-[3-(2,4-dichlorophenoxy)propanoylamino]-2-methylbenzamide

3-[3-(2,4-dichlorophenoxy)propanoylamino]-2-methylbenzamide (PubChem CID 87036675) has the molecular formula C17H16Cl2N2O3 and a molecular weight of 367.23 g/mol. Its IUPAC name is 3-[3-(2,4-dichlorophenoxy)propanoylamino]-2-methylbenzamide.

Molecular Properties

Compound Name3-[3-(2,4-dichlorophenoxy)propanoylamino]-2-methylbenzamide
PubChem CID87036675
Molecular FormulaC17H16Cl2N2O3
Molecular Weight367.23 g/mol
Exact Mass366.05
IUPAC Name3-[3-(2,4-dichlorophenoxy)propanoylamino]-2-methylbenzamide
SMILESCc1c(NC(=O)CCOc2ccc(Cl)cc2Cl)cccc1C(N)=O
InChIInChI=1S/C17H16Cl2N2O3/c1-10-12(17(20)23)3-2-4-14(10)21-16(22)7-8-24-15-6-5-11(18)9-13(15)19/h2-6,9H,7-8H2,1H3,(H2,20,23)(H,21,22)
InChIKeyOCRRKZHMPWDZOK-UHFFFAOYSA-N
XLogP3.81
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.23
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(2-bromo-4-methylphenoxy)propanoylamino]-2-methylbenzamide
CID 86851764
methyl 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]-2-methylbenzoate
CID 2208364
N-(3-chloro-2-methylphenyl)-4-[2-[2-(2,4-dichlorophenoxy)acetyl]hydrazinyl]-4-oxobutanamide
CID 3516306
4-(2,4-dichlorophenoxy)-N-naphthalen-1-ylbutanamide
CID 2177409
4-(2,4-dichlorophenoxy)-N-(2-ethylphenyl)butanamide
CID 2838387
N-tert-butyl-2-[4-(2,4-dichlorophenoxy)butanoylamino]benzamide
CID 4530961
N-(4-chloro-2-methylphenyl)-3-(2-chlorophenoxy)propanamide
CID 39088317
3-[3-(3-chloro-4-methylphenyl)propanoylamino]-2-methylbenzamide
CID 34577318
5-chloro-2-[[2-(2,4-dichlorophenoxy)acetyl]amino]benzamide
CID 122187999
3-[(2-chloroacetyl)amino]-2-methylbenzamide
CID 43698457
N-[3-[[2-(2,4-dichlorophenoxy)acetyl]amino]-2-methylphenyl]cyclopropanecarboxamide
CID 46761205
N-(4-chloro-2-fluorophenyl)-4-(2,4-dichlorophenoxy)butanamide
CID 2165687

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2,4-dichlorophenoxy)propanoylamino]-2-methylbenzamide?
The IUPAC name of 3-[3-(2,4-dichlorophenoxy)propanoylamino]-2-methylbenzamide (CID 87036675) is 3-[3-(2,4-dichlorophenoxy)propanoylamino]-2-methylbenzamide.
What is the SMILES notation for 3-[3-(2,4-dichlorophenoxy)propanoylamino]-2-methylbenzamide?
The canonical SMILES for 3-[3-(2,4-dichlorophenoxy)propanoylamino]-2-methylbenzamide is Cc1c(NC(=O)CCOc2ccc(Cl)cc2Cl)cccc1C(N)=O.
What is the InChIKey of 3-[3-(2,4-dichlorophenoxy)propanoylamino]-2-methylbenzamide?
The InChIKey is OCRRKZHMPWDZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O3/c1-10-12(17(20)23)3-2-4-14(10)21-16(22)7-8-24-15-6-5-11(18)9-13(15)19/h2-6,9H,7-8H2,1H3,(H2,20,23)(H,21,22).
What are the key properties of 3-[3-(2,4-dichlorophenoxy)propanoylamino]-2-methylbenzamide?
3-[3-(2,4-dichlorophenoxy)propanoylamino]-2-methylbenzamide has a molecular weight of 367.23 g/mol, XLogP of 3.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2,4-dichlorophenoxy)propanoylamino]-2-methylbenzamide is sourced from PubChem (CID 87036675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).