2-(4-chloro-3-fluorophenoxy)-N-[3-[[2-(3-chlorophenoxy)acetyl]amino]-3-methylcyclobuten-1-yl]acetamide

C21H19Cl2FN2O4 — CID 155302885

IUPAC2-(4-chloro-3-fluorophenoxy)-N-[3-[[2-(3-chlorophenoxy)acetyl]amino]-3-methylcyclobuten-1-yl]acetamide
SMILESCC1(NC(=O)COc2cccc(Cl)c2)C=C(NC(=O)COc2ccc(Cl)c(F)c2)C1
InChIInChI=1S/C21H19Cl2FN2O4/c1-21(26-20(28)12-30-15-4-2-3-13(22)7-15)9-14(10-21)25-19(27)11-29-16-5-6-17(23)18(24)8-16/h2-9H,10-12H2,1H3,(H,25,27)(H,26,28)
InChIKeyNHNAPWBNHKLPIK-UHFFFAOYSA-N
MW453.30 g/mol
LogP3.87
Rot. Bonds8

About 2-(4-chloro-3-fluorophenoxy)-N-[3-[[2-(3-chlorophenoxy)acetyl]amino]-3-methylcyclobuten-1-yl]acetamide

2-(4-chloro-3-fluorophenoxy)-N-[3-[[2-(3-chlorophenoxy)acetyl]amino]-3-methylcyclobuten-1-yl]acetamide (PubChem CID 155302885) has the molecular formula C21H19Cl2FN2O4 and a molecular weight of 453.30 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenoxy)-N-[3-[[2-(3-chlorophenoxy)acetyl]amino]-3-methylcyclobuten-1-yl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenoxy)-N-[3-[[2-(3-chlorophenoxy)acetyl]amino]-3-methylcyclobuten-1-yl]acetamide
PubChem CID155302885
Molecular FormulaC21H19Cl2FN2O4
Molecular Weight453.30 g/mol
Exact Mass452.07
IUPAC Name2-(4-chloro-3-fluorophenoxy)-N-[3-[[2-(3-chlorophenoxy)acetyl]amino]-3-methylcyclobuten-1-yl]acetamide
SMILESCC1(NC(=O)COc2cccc(Cl)c2)C=C(NC(=O)COc2ccc(Cl)c(F)c2)C1
InChIInChI=1S/C21H19Cl2FN2O4/c1-21(26-20(28)12-30-15-4-2-3-13(22)7-15)9-14(10-21)25-19(27)11-29-16-5-6-17(23)18(24)8-16/h2-9H,10-12H2,1H3,(H,25,27)(H,26,28)
InChIKeyNHNAPWBNHKLPIK-UHFFFAOYSA-N
XLogP3.87
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.30
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methylcyclobuten-1-yl]-3-(3-chlorophenoxy)propanamide
CID 155302750
2-(4-chloro-3-fluorophenoxy)-N-[3-[[2-[(2,6-dimethyl-4-pyridinyl)oxy]acetyl]amino]-1-methylcyclobut-2-en-1-yl]acetamide
CID 138632288
N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methylcyclobuten-1-yl]-2-[[3-(dimethylamino)phenyl]methoxy]acetamide
CID 155303192
2-(4-chloro-3-fluorophenoxy)-N-[3-[[2-[(2-fluoro-6-methyl-3-pyridinyl)oxy]acetyl]amino]-1-methylcyclobut-2-en-1-yl]acetamide
CID 138632385
N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methylcyclobuten-1-yl]-2-[2-[4-(dimethylamino)phenyl]ethoxy]acetamide
CID 138632294
N-[3-[2-(4-chloro-2-fluorophenoxy)ethylamino]-3-methylcyclobuten-1-yl]-2-(3,4-dichlorophenoxy)acetamide
CID 138632654
2-(4-chloro-3-fluorophenoxy)-N-[(3S)-4-[[2-(3-chlorophenoxy)acetyl]amino]-3-hydroxybutyl]acetamide
CID 155302933
N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-3-[(3-chlorophenyl)methoxy]propanamide
CID 138610717
2-(3-chlorophenoxy)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide
CID 7818825
2-(3-chlorophenoxy)-N-(2,3,4-trifluorophenyl)acetamide
CID 2633081
2-(4-chloro-3-fluorophenoxy)-N-[(3S,6R)-5-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3,6-dihydroxy-2-bicyclo[3.1.1]hept-1-enyl]acetamide
CID 155302975
2-(4-chloro-3-fluorophenoxy)-N-[3-(hydroxymethyl)-1-bicyclo[1.1.1]pentanyl]acetamide
CID 137480146

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenoxy)-N-[3-[[2-(3-chlorophenoxy)acetyl]amino]-3-methylcyclobuten-1-yl]acetamide?
The IUPAC name of 2-(4-chloro-3-fluorophenoxy)-N-[3-[[2-(3-chlorophenoxy)acetyl]amino]-3-methylcyclobuten-1-yl]acetamide (CID 155302885) is 2-(4-chloro-3-fluorophenoxy)-N-[3-[[2-(3-chlorophenoxy)acetyl]amino]-3-methylcyclobuten-1-yl]acetamide.
What is the SMILES notation for 2-(4-chloro-3-fluorophenoxy)-N-[3-[[2-(3-chlorophenoxy)acetyl]amino]-3-methylcyclobuten-1-yl]acetamide?
The canonical SMILES for 2-(4-chloro-3-fluorophenoxy)-N-[3-[[2-(3-chlorophenoxy)acetyl]amino]-3-methylcyclobuten-1-yl]acetamide is CC1(NC(=O)COc2cccc(Cl)c2)C=C(NC(=O)COc2ccc(Cl)c(F)c2)C1.
What is the InChIKey of 2-(4-chloro-3-fluorophenoxy)-N-[3-[[2-(3-chlorophenoxy)acetyl]amino]-3-methylcyclobuten-1-yl]acetamide?
The InChIKey is NHNAPWBNHKLPIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Cl2FN2O4/c1-21(26-20(28)12-30-15-4-2-3-13(22)7-15)9-14(10-21)25-19(27)11-29-16-5-6-17(23)18(24)8-16/h2-9H,10-12H2,1H3,(H,25,27)(H,26,28).
What are the key properties of 2-(4-chloro-3-fluorophenoxy)-N-[3-[[2-(3-chlorophenoxy)acetyl]amino]-3-methylcyclobuten-1-yl]acetamide?
2-(4-chloro-3-fluorophenoxy)-N-[3-[[2-(3-chlorophenoxy)acetyl]amino]-3-methylcyclobuten-1-yl]acetamide has a molecular weight of 453.30 g/mol, XLogP of 3.87, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-fluorophenoxy)-N-[3-[[2-(3-chlorophenoxy)acetyl]amino]-3-methylcyclobuten-1-yl]acetamide is sourced from PubChem (CID 155302885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).