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

C21H21Cl2FN2O3 — CID 166896148

IUPAC4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(1S)-1-(4-chlorophenyl)ethyl]pent-4-enamide
SMILESC=C(CCC(=O)N[C@@H](C)c1ccc(Cl)cc1)NC(=O)COc1ccc(Cl)c(F)c1
InChIInChI=1S/C21H21Cl2FN2O3/c1-13(25-21(28)12-29-17-8-9-18(23)19(24)11-17)3-10-20(27)26-14(2)15-4-6-16(22)7-5-15/h4-9,11,14H,1,3,10,12H2,2H3,(H,25,28)(H,26,27)/t14-/m0/s1
InChIKeyYGUVWSWHGSOYCW-AWEZNQCLSA-N
MW439.31 g/mol
LogP4.80
Rot. Bonds9

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

4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(1S)-1-(4-chlorophenyl)ethyl]pent-4-enamide (PubChem CID 166896148) has the molecular formula C21H21Cl2FN2O3 and a molecular weight of 439.31 g/mol. Its IUPAC name is 4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(1S)-1-(4-chlorophenyl)ethyl]pent-4-enamide.

Molecular Properties

Compound Name4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(1S)-1-(4-chlorophenyl)ethyl]pent-4-enamide
PubChem CID166896148
Molecular FormulaC21H21Cl2FN2O3
Molecular Weight439.31 g/mol
Exact Mass438.09
IUPAC Name4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(1S)-1-(4-chlorophenyl)ethyl]pent-4-enamide
SMILESC=C(CCC(=O)N[C@@H](C)c1ccc(Cl)cc1)NC(=O)COc1ccc(Cl)c(F)c1
InChIInChI=1S/C21H21Cl2FN2O3/c1-13(25-21(28)12-29-17-8-9-18(23)19(24)11-17)3-10-20(27)26-14(2)15-4-6-16(22)7-5-15/h4-9,11,14H,1,3,10,12H2,2H3,(H,25,28)(H,26,27)/t14-/m0/s1
InChIKeyYGUVWSWHGSOYCW-AWEZNQCLSA-N
XLogP4.80
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.31
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(1S)-1-(4-chlorophenyl)ethyl]pent-4-enamide with MolForge

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Related Compounds

4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[1-(4-chlorophenyl)-2-hydroxyethyl]pent-4-enamide
CID 166896083
4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2,5-dimethoxyphenyl)methyl]pent-4-enamide
CID 166896066
2-(3-chloro-4-fluorophenoxy)-N-[(1R)-1-phenylethyl]acetamide
CID 7751282
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(3,4-dimethylphenoxy)acetamide
CID 8751680
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
N-[1-(4-chlorophenyl)ethyl]-2-naphthalen-2-yloxyacetamide
CID 42989419
N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-3-enyl]-4-methylpyridine-2-carboxamide
CID 170000150
2-(4-chloro-3-fluorophenoxy)-N-[4-(1,3,4-oxadiazol-2-yl)but-1-en-2-yl]acetamide
CID 142528068
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(7-methoxynaphthalen-2-yl)oxyacetamide
CID 7652877
N-[(1R)-1-(4-bromophenyl)ethyl]-2-(4-chlorophenoxy)acetamide
CID 7948935
4-chloro-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-1-en-2-yl]-3-fluorobenzamide
CID 155264716

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(1S)-1-(4-chlorophenyl)ethyl]pent-4-enamide?
The IUPAC name of 4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(1S)-1-(4-chlorophenyl)ethyl]pent-4-enamide (CID 166896148) is 4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(1S)-1-(4-chlorophenyl)ethyl]pent-4-enamide.
What is the SMILES notation for 4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(1S)-1-(4-chlorophenyl)ethyl]pent-4-enamide?
The canonical SMILES for 4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(1S)-1-(4-chlorophenyl)ethyl]pent-4-enamide is C=C(CCC(=O)N[C@@H](C)c1ccc(Cl)cc1)NC(=O)COc1ccc(Cl)c(F)c1.
What is the InChIKey of 4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(1S)-1-(4-chlorophenyl)ethyl]pent-4-enamide?
The InChIKey is YGUVWSWHGSOYCW-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H21Cl2FN2O3/c1-13(25-21(28)12-29-17-8-9-18(23)19(24)11-17)3-10-20(27)26-14(2)15-4-6-16(22)7-5-15/h4-9,11,14H,1,3,10,12H2,2H3,(H,25,28)(H,26,27)/t14-/m0/s1.
What are the key properties of 4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(1S)-1-(4-chlorophenyl)ethyl]pent-4-enamide?
4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(1S)-1-(4-chlorophenyl)ethyl]pent-4-enamide has a molecular weight of 439.31 g/mol, XLogP of 4.80, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(1S)-1-(4-chlorophenyl)ethyl]pent-4-enamide is sourced from PubChem (CID 166896148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).