4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[1-(4-chlorophenyl)-2-hydroxyethyl]pent-4-enamide

C21H21Cl2FN2O4 — CID 166896083

IUPAC4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[1-(4-chlorophenyl)-2-hydroxyethyl]pent-4-enamide
SMILESC=C(CCC(=O)NC(CO)c1ccc(Cl)cc1)NC(=O)COc1ccc(Cl)c(F)c1
InChIInChI=1S/C21H21Cl2FN2O4/c1-13(25-21(29)12-30-16-7-8-17(23)18(24)10-16)2-9-20(28)26-19(11-27)14-3-5-15(22)6-4-14/h3-8,10,19,27H,1-2,9,11-12H2,(H,25,29)(H,26,28)
InChIKeyRNOOIBDPYCUMGR-UHFFFAOYSA-N
MW455.31 g/mol
LogP3.77
Rot. Bonds10

About 4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[1-(4-chlorophenyl)-2-hydroxyethyl]pent-4-enamide

4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[1-(4-chlorophenyl)-2-hydroxyethyl]pent-4-enamide (PubChem CID 166896083) has the molecular formula C21H21Cl2FN2O4 and a molecular weight of 455.31 g/mol. Its IUPAC name is 4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[1-(4-chlorophenyl)-2-hydroxyethyl]pent-4-enamide.

Molecular Properties

Compound Name4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[1-(4-chlorophenyl)-2-hydroxyethyl]pent-4-enamide
PubChem CID166896083
Molecular FormulaC21H21Cl2FN2O4
Molecular Weight455.31 g/mol
Exact Mass454.09
IUPAC Name4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[1-(4-chlorophenyl)-2-hydroxyethyl]pent-4-enamide
SMILESC=C(CCC(=O)NC(CO)c1ccc(Cl)cc1)NC(=O)COc1ccc(Cl)c(F)c1
InChIInChI=1S/C21H21Cl2FN2O4/c1-13(25-21(29)12-30-16-7-8-17(23)18(24)10-16)2-9-20(28)26-19(11-27)14-3-5-15(22)6-4-14/h3-8,10,19,27H,1-2,9,11-12H2,(H,25,29)(H,26,28)
InChIKeyRNOOIBDPYCUMGR-UHFFFAOYSA-N
XLogP3.77
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.31
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(1S)-1-(4-chlorophenyl)ethyl]pent-4-enamide
CID 166896148
4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2,5-dimethoxyphenyl)methyl]pent-4-enamide
CID 166896066
2-(4-chloro-3-fluorophenoxy)-N-[4-(1,3,4-oxadiazol-2-yl)but-1-en-2-yl]acetamide
CID 142528068
4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2,6-dimethyl-3-pyridinyl)methyl]pent-4-enamide
CID 166896238
4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(3Z,5Z)-6-chloro-5-methoxy-2-methylidenehexa-3,5-dienyl]pent-4-enamide
CID 167012937
4-chloro-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-1-en-2-yl]-3-fluorobenzamide
CID 155264716
N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-1-en-2-yl]-2-phenylacetamide
CID 138632411
2-(4-chloro-3-fluorophenoxy)-N-[4-[5-(4-chlorophenyl)-2-oxo-1,3-oxazinan-3-yl]but-1-en-2-yl]acetamide
CID 155260817
N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-3-enyl]-3-(4-chloro-6-oxopyridazin-1-yl)propanamide
CID 155303079
N-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(2,5-difluorophenyl)acetamide
CID 110004284
3-[[2-(4-chloro-3-fluorophenoxy)-1-hydroxyethyl]amino]-N-[1-(4-chlorophenyl)-2-hydroxyethyl]bicyclo[1.1.1]pentane-1-carboxamide
CID 166896085
N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-3-enyl]-4-methylpyridine-2-carboxamide
CID 170000150

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[1-(4-chlorophenyl)-2-hydroxyethyl]pent-4-enamide?
The IUPAC name of 4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[1-(4-chlorophenyl)-2-hydroxyethyl]pent-4-enamide (CID 166896083) is 4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[1-(4-chlorophenyl)-2-hydroxyethyl]pent-4-enamide.
What is the SMILES notation for 4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[1-(4-chlorophenyl)-2-hydroxyethyl]pent-4-enamide?
The canonical SMILES for 4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[1-(4-chlorophenyl)-2-hydroxyethyl]pent-4-enamide is C=C(CCC(=O)NC(CO)c1ccc(Cl)cc1)NC(=O)COc1ccc(Cl)c(F)c1.
What is the InChIKey of 4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[1-(4-chlorophenyl)-2-hydroxyethyl]pent-4-enamide?
The InChIKey is RNOOIBDPYCUMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21Cl2FN2O4/c1-13(25-21(29)12-30-16-7-8-17(23)18(24)10-16)2-9-20(28)26-19(11-27)14-3-5-15(22)6-4-14/h3-8,10,19,27H,1-2,9,11-12H2,(H,25,29)(H,26,28).
What are the key properties of 4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[1-(4-chlorophenyl)-2-hydroxyethyl]pent-4-enamide?
4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[1-(4-chlorophenyl)-2-hydroxyethyl]pent-4-enamide has a molecular weight of 455.31 g/mol, XLogP of 3.77, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[1-(4-chlorophenyl)-2-hydroxyethyl]pent-4-enamide is sourced from PubChem (CID 166896083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).