4-chloro-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-1-en-2-yl]-3-fluorobenzamide

C19H16Cl2F2N2O3 — CID 155264716

IUPAC4-chloro-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-1-en-2-yl]-3-fluorobenzamide
SMILESC=C(CCNC(=O)COc1ccc(Cl)c(F)c1)NC(=O)c1ccc(Cl)c(F)c1
InChIInChI=1S/C19H16Cl2F2N2O3/c1-11(25-19(27)12-2-4-14(20)16(22)8-12)6-7-24-18(26)10-28-13-3-5-15(21)17(23)9-13/h2-5,8-9H,1,6-7,10H2,(H,24,26)(H,25,27)
InChIKeyVHEZNKPKHLKKFA-UHFFFAOYSA-N
MW429.25 g/mol
LogP4.10
Rot. Bonds8

About 4-chloro-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-1-en-2-yl]-3-fluorobenzamide

4-chloro-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-1-en-2-yl]-3-fluorobenzamide (PubChem CID 155264716) has the molecular formula C19H16Cl2F2N2O3 and a molecular weight of 429.25 g/mol. Its IUPAC name is 4-chloro-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-1-en-2-yl]-3-fluorobenzamide.

Molecular Properties

Compound Name4-chloro-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-1-en-2-yl]-3-fluorobenzamide
PubChem CID155264716
Molecular FormulaC19H16Cl2F2N2O3
Molecular Weight429.25 g/mol
Exact Mass428.05
IUPAC Name4-chloro-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-1-en-2-yl]-3-fluorobenzamide
SMILESC=C(CCNC(=O)COc1ccc(Cl)c(F)c1)NC(=O)c1ccc(Cl)c(F)c1
InChIInChI=1S/C19H16Cl2F2N2O3/c1-11(25-19(27)12-2-4-14(20)16(22)8-12)6-7-24-18(26)10-28-13-3-5-15(21)17(23)9-13/h2-5,8-9H,1,6-7,10H2,(H,24,26)(H,25,27)
InChIKeyVHEZNKPKHLKKFA-UHFFFAOYSA-N
XLogP4.10
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.25
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-1-en-2-yl]-4-(hydrazinylmethyl)benzamide
CID 155265235
N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-1-en-2-yl]-1,3-benzoxazole-5-carboxamide
CID 155264572
N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-1-en-2-yl]-2-phenylacetamide
CID 138632411
N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-1-en-2-yl]-4-methoxypyridine-2-carboxamide
CID 155264549
(E)-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-1-en-2-yl]-3-(3,4-dichlorophenyl)prop-2-enamide
CID 138632707
N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-1-en-2-yl]-5-cyanothiophene-2-carboxamide
CID 155264616
2-acetamido-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-1-en-2-yl]thiophene-3-carboxamide
CID 155264630
N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-3-enyl]-6-methoxypyridine-3-carboxamide
CID 155264448
N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-1-en-2-yl]-3-(trifluoromethyl)-1,2-oxazole-5-carboxamide
CID 155264848
N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-1-en-2-yl]-1,3-benzoxazole-2-carboxamide
CID 155264613
2-(4-chloro-3-fluorophenoxy)-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-oxobutyl]acetamide
CID 138632283
N-[3-[[2-(7-azabicyclo[4.1.0]hepta-1,3,5-trien-7-yloxysulfanyl)acetyl]amino]but-3-enyl]-2-(4-chloro-3-fluorophenoxy)acetamide
CID 170002997

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-1-en-2-yl]-3-fluorobenzamide?
The IUPAC name of 4-chloro-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-1-en-2-yl]-3-fluorobenzamide (CID 155264716) is 4-chloro-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-1-en-2-yl]-3-fluorobenzamide.
What is the SMILES notation for 4-chloro-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-1-en-2-yl]-3-fluorobenzamide?
The canonical SMILES for 4-chloro-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-1-en-2-yl]-3-fluorobenzamide is C=C(CCNC(=O)COc1ccc(Cl)c(F)c1)NC(=O)c1ccc(Cl)c(F)c1.
What is the InChIKey of 4-chloro-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-1-en-2-yl]-3-fluorobenzamide?
The InChIKey is VHEZNKPKHLKKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2F2N2O3/c1-11(25-19(27)12-2-4-14(20)16(22)8-12)6-7-24-18(26)10-28-13-3-5-15(21)17(23)9-13/h2-5,8-9H,1,6-7,10H2,(H,24,26)(H,25,27).
What are the key properties of 4-chloro-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-1-en-2-yl]-3-fluorobenzamide?
4-chloro-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-1-en-2-yl]-3-fluorobenzamide has a molecular weight of 429.25 g/mol, XLogP of 4.10, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-1-en-2-yl]-3-fluorobenzamide is sourced from PubChem (CID 155264716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).