2-chloro-4-[3-(3-chlorophenoxy)propanoylamino]-N-cyclopropylbenzamide

C19H18Cl2N2O3 — CID 55805438

IUPAC2-chloro-4-[3-(3-chlorophenoxy)propanoylamino]-N-cyclopropylbenzamide
SMILESO=C(CCOc1cccc(Cl)c1)Nc1ccc(C(=O)NC2CC2)c(Cl)c1
InChIInChI=1S/C19H18Cl2N2O3/c20-12-2-1-3-15(10-12)26-9-8-18(24)22-14-6-7-16(17(21)11-14)19(25)23-13-4-5-13/h1-3,6-7,10-11,13H,4-5,8-9H2,(H,22,24)(H,23,25)
InChIKeyDFDMZMBSOZHJDA-UHFFFAOYSA-N
MW393.27 g/mol
LogP4.29
Rot. Bonds7

About 2-chloro-4-[3-(3-chlorophenoxy)propanoylamino]-N-cyclopropylbenzamide

2-chloro-4-[3-(3-chlorophenoxy)propanoylamino]-N-cyclopropylbenzamide (PubChem CID 55805438) has the molecular formula C19H18Cl2N2O3 and a molecular weight of 393.27 g/mol. Its IUPAC name is 2-chloro-4-[3-(3-chlorophenoxy)propanoylamino]-N-cyclopropylbenzamide.

Molecular Properties

Compound Name2-chloro-4-[3-(3-chlorophenoxy)propanoylamino]-N-cyclopropylbenzamide
PubChem CID55805438
Molecular FormulaC19H18Cl2N2O3
Molecular Weight393.27 g/mol
Exact Mass392.07
IUPAC Name2-chloro-4-[3-(3-chlorophenoxy)propanoylamino]-N-cyclopropylbenzamide
SMILESO=C(CCOc1cccc(Cl)c1)Nc1ccc(C(=O)NC2CC2)c(Cl)c1
InChIInChI=1S/C19H18Cl2N2O3/c20-12-2-1-3-15(10-12)26-9-8-18(24)22-14-6-7-16(17(21)11-14)19(25)23-13-4-5-13/h1-3,6-7,10-11,13H,4-5,8-9H2,(H,22,24)(H,23,25)
InChIKeyDFDMZMBSOZHJDA-UHFFFAOYSA-N
XLogP4.29
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.27
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-[3-(2-chloro-4-fluorophenoxy)propanoylamino]-N-cyclopropylbenzamide
CID 55805375
2-chloro-5-[3-(3-chlorophenyl)propanoylamino]-N-cyclopropylbenzamide
CID 87026452
2-chloro-N-cyclopropyl-4-[[2-(4-methoxyphenoxy)acetyl]amino]benzamide
CID 55805524
2-chloro-N-cyclopropyl-4-[[2-(4-iodophenoxy)acetyl]amino]benzamide
CID 55804856
N-cyclopropyl-2-(3-phenoxypropanoylamino)benzamide
CID 26906047
N-(4-chlorophenyl)-3-(3-methylphenoxy)propanamide
CID 7965845
2-chloro-N-cyclopropyl-5-(3-phenylsulfanylpropanoylamino)benzamide
CID 87026412
N-(3-chloro-4-methoxyphenyl)-3-(3-methylphenoxy)propanamide
CID 2110464
methyl 2-[[2-[4-[3-(3-chlorophenoxy)propanoylamino]phenyl]acetyl]amino]acetate
CID 55781822
2-chloro-N-cyclopropyl-4-[3-(2,4-dioxoquinazolin-1-yl)propanoylamino]benzamide
CID 55970544
2-chloro-N-cyclopropyl-4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]benzamide
CID 55805274
2-chloro-4-[[2-(3-chlorophenoxy)acetyl]amino]-N,N-diethylbenzamide
CID 46436791

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[3-(3-chlorophenoxy)propanoylamino]-N-cyclopropylbenzamide?
The IUPAC name of 2-chloro-4-[3-(3-chlorophenoxy)propanoylamino]-N-cyclopropylbenzamide (CID 55805438) is 2-chloro-4-[3-(3-chlorophenoxy)propanoylamino]-N-cyclopropylbenzamide.
What is the SMILES notation for 2-chloro-4-[3-(3-chlorophenoxy)propanoylamino]-N-cyclopropylbenzamide?
The canonical SMILES for 2-chloro-4-[3-(3-chlorophenoxy)propanoylamino]-N-cyclopropylbenzamide is O=C(CCOc1cccc(Cl)c1)Nc1ccc(C(=O)NC2CC2)c(Cl)c1.
What is the InChIKey of 2-chloro-4-[3-(3-chlorophenoxy)propanoylamino]-N-cyclopropylbenzamide?
The InChIKey is DFDMZMBSOZHJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N2O3/c20-12-2-1-3-15(10-12)26-9-8-18(24)22-14-6-7-16(17(21)11-14)19(25)23-13-4-5-13/h1-3,6-7,10-11,13H,4-5,8-9H2,(H,22,24)(H,23,25).
What are the key properties of 2-chloro-4-[3-(3-chlorophenoxy)propanoylamino]-N-cyclopropylbenzamide?
2-chloro-4-[3-(3-chlorophenoxy)propanoylamino]-N-cyclopropylbenzamide has a molecular weight of 393.27 g/mol, XLogP of 4.29, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[3-(3-chlorophenoxy)propanoylamino]-N-cyclopropylbenzamide is sourced from PubChem (CID 55805438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).