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

C19H17Cl2FN2O3 — CID 55805375

IUPAC2-chloro-4-[3-(2-chloro-4-fluorophenoxy)propanoylamino]-N-cyclopropylbenzamide
SMILESO=C(CCOc1ccc(F)cc1Cl)Nc1ccc(C(=O)NC2CC2)c(Cl)c1
InChIInChI=1S/C19H17Cl2FN2O3/c20-15-10-13(4-5-14(15)19(26)24-12-2-3-12)23-18(25)7-8-27-17-6-1-11(22)9-16(17)21/h1,4-6,9-10,12H,2-3,7-8H2,(H,23,25)(H,24,26)
InChIKeyFOXJYLAQLKCNNW-UHFFFAOYSA-N
MW411.26 g/mol
LogP4.43
Rot. Bonds7

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

2-chloro-4-[3-(2-chloro-4-fluorophenoxy)propanoylamino]-N-cyclopropylbenzamide (PubChem CID 55805375) has the molecular formula C19H17Cl2FN2O3 and a molecular weight of 411.26 g/mol. Its IUPAC name is 2-chloro-4-[3-(2-chloro-4-fluorophenoxy)propanoylamino]-N-cyclopropylbenzamide.

Molecular Properties

Compound Name2-chloro-4-[3-(2-chloro-4-fluorophenoxy)propanoylamino]-N-cyclopropylbenzamide
PubChem CID55805375
Molecular FormulaC19H17Cl2FN2O3
Molecular Weight411.26 g/mol
Exact Mass410.06
IUPAC Name2-chloro-4-[3-(2-chloro-4-fluorophenoxy)propanoylamino]-N-cyclopropylbenzamide
SMILESO=C(CCOc1ccc(F)cc1Cl)Nc1ccc(C(=O)NC2CC2)c(Cl)c1
InChIInChI=1S/C19H17Cl2FN2O3/c20-15-10-13(4-5-14(15)19(26)24-12-2-3-12)23-18(25)7-8-27-17-6-1-11(22)9-16(17)21/h1,4-6,9-10,12H,2-3,7-8H2,(H,23,25)(H,24,26)
InChIKeyFOXJYLAQLKCNNW-UHFFFAOYSA-N
XLogP4.43
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.26
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-[3-(3-chlorophenoxy)propanoylamino]-N-cyclopropylbenzamide
CID 55805438
2-chloro-N-cyclopropyl-4-[[2-(4-iodophenoxy)acetyl]amino]benzamide
CID 55804856
2-chloro-N-cyclopropyl-4-[[2-(4-methoxyphenoxy)acetyl]amino]benzamide
CID 55805524
2-chloro-N-(3,4-dipropoxyphenyl)-4-fluorobenzamide
CID 26878655
[2-(cyclopropylamino)-2-oxoethyl] 2-chloro-4-fluorobenzoate
CID 2570348
3-(2-chloro-4-fluorophenoxy)-N-[3-(piperidin-1-ylmethyl)phenyl]propanamide
CID 55778319
2-(2-aminoethoxy)-N-cyclopropyl-5-fluorobenzamide;hydrochloride
CID 166174911
2-chloro-N-cyclopropyl-4-[3-(2,4-dioxoquinazolin-1-yl)propanoylamino]benzamide
CID 55970544
N-(2-chloro-4-fluorophenyl)-3-(cyclopropylamino)propanamide
CID 54920451
2-chloro-N-cyclopropyl-4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]benzamide
CID 55805274
3-(2-chloro-4-fluorophenoxy)-N-(1-methylsulfonylpiperidin-3-yl)propanamide
CID 47910340
3-(2-chloro-4-fluorophenoxy)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
CID 87000979

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[3-(2-chloro-4-fluorophenoxy)propanoylamino]-N-cyclopropylbenzamide?
The IUPAC name of 2-chloro-4-[3-(2-chloro-4-fluorophenoxy)propanoylamino]-N-cyclopropylbenzamide (CID 55805375) is 2-chloro-4-[3-(2-chloro-4-fluorophenoxy)propanoylamino]-N-cyclopropylbenzamide.
What is the SMILES notation for 2-chloro-4-[3-(2-chloro-4-fluorophenoxy)propanoylamino]-N-cyclopropylbenzamide?
The canonical SMILES for 2-chloro-4-[3-(2-chloro-4-fluorophenoxy)propanoylamino]-N-cyclopropylbenzamide is O=C(CCOc1ccc(F)cc1Cl)Nc1ccc(C(=O)NC2CC2)c(Cl)c1.
What is the InChIKey of 2-chloro-4-[3-(2-chloro-4-fluorophenoxy)propanoylamino]-N-cyclopropylbenzamide?
The InChIKey is FOXJYLAQLKCNNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2FN2O3/c20-15-10-13(4-5-14(15)19(26)24-12-2-3-12)23-18(25)7-8-27-17-6-1-11(22)9-16(17)21/h1,4-6,9-10,12H,2-3,7-8H2,(H,23,25)(H,24,26).
What are the key properties of 2-chloro-4-[3-(2-chloro-4-fluorophenoxy)propanoylamino]-N-cyclopropylbenzamide?
2-chloro-4-[3-(2-chloro-4-fluorophenoxy)propanoylamino]-N-cyclopropylbenzamide has a molecular weight of 411.26 g/mol, XLogP of 4.43, 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-(2-chloro-4-fluorophenoxy)propanoylamino]-N-cyclopropylbenzamide is sourced from PubChem (CID 55805375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).