2-(3-cyanophenoxy)-N-[(3R)-3-(3,4-dichlorophenyl)-3-hydroxypropyl]acetamide

C18H16Cl2N2O3 — CID 100636574

IUPAC2-(3-cyanophenoxy)-N-[(3R)-3-(3,4-dichlorophenyl)-3-hydroxypropyl]acetamide
SMILESN#Cc1cccc(OCC(=O)NCC[C@@H](O)c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C18H16Cl2N2O3/c19-15-5-4-13(9-16(15)20)17(23)6-7-22-18(24)11-25-14-3-1-2-12(8-14)10-21/h1-5,8-9,17,23H,6-7,11H2,(H,22,24)/t17-/m1/s1
InChIKeyKMGPWISSEONQAK-QGZVFWFLSA-N
MW379.24 g/mol
LogP3.48
Rot. Bonds7

About 2-(3-cyanophenoxy)-N-[(3R)-3-(3,4-dichlorophenyl)-3-hydroxypropyl]acetamide

2-(3-cyanophenoxy)-N-[(3R)-3-(3,4-dichlorophenyl)-3-hydroxypropyl]acetamide (PubChem CID 100636574) has the molecular formula C18H16Cl2N2O3 and a molecular weight of 379.24 g/mol. Its IUPAC name is 2-(3-cyanophenoxy)-N-[(3R)-3-(3,4-dichlorophenyl)-3-hydroxypropyl]acetamide.

Molecular Properties

Compound Name2-(3-cyanophenoxy)-N-[(3R)-3-(3,4-dichlorophenyl)-3-hydroxypropyl]acetamide
PubChem CID100636574
Molecular FormulaC18H16Cl2N2O3
Molecular Weight379.24 g/mol
Exact Mass378.05
IUPAC Name2-(3-cyanophenoxy)-N-[(3R)-3-(3,4-dichlorophenyl)-3-hydroxypropyl]acetamide
SMILESN#Cc1cccc(OCC(=O)NCC[C@@H](O)c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C18H16Cl2N2O3/c19-15-5-4-13(9-16(15)20)17(23)6-7-22-18(24)11-25-14-3-1-2-12(8-14)10-21/h1-5,8-9,17,23H,6-7,11H2,(H,22,24)/t17-/m1/s1
InChIKeyKMGPWISSEONQAK-QGZVFWFLSA-N
XLogP3.48
TPSA82.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.24
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(R)-(4-chlorophenyl)-phenylmethyl]-2-(3-cyanophenoxy)acetamide
CID 8852910
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(3-cyanophenoxy)acetamide
CID 7964571
N-[(3-chlorophenyl)methyl]-2-(3-cyanophenoxy)acetamide
CID 7963971
2-(3-cyanophenoxy)-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 9457314
2-(3-cyanophenoxy)-N-prop-2-enylacetamide
CID 24699881
N-benzyl-2-(3-cyanophenoxy)acetamide
CID 2591402
2-chloro-N-[3-(3-cyanophenoxy)propyl]acetamide
CID 118436983
N-[2-(cyanoamino)ethyl]-2-(3,4-dichlorophenoxy)acetamide
CID 154687601
N-(3-chlorophenyl)-2-(3-cyanophenoxy)acetamide
CID 8933252
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(3-cyanophenoxy)acetamide
CID 59018258
2-bromo-N-[2-(3-cyanophenoxy)ethyl]acetamide
CID 68829328
N-(3-hydroxy-3-thiophen-3-ylpropyl)-2-(3-methoxyphenoxy)acetamide
CID 121132117

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyanophenoxy)-N-[(3R)-3-(3,4-dichlorophenyl)-3-hydroxypropyl]acetamide?
The IUPAC name of 2-(3-cyanophenoxy)-N-[(3R)-3-(3,4-dichlorophenyl)-3-hydroxypropyl]acetamide (CID 100636574) is 2-(3-cyanophenoxy)-N-[(3R)-3-(3,4-dichlorophenyl)-3-hydroxypropyl]acetamide.
What is the SMILES notation for 2-(3-cyanophenoxy)-N-[(3R)-3-(3,4-dichlorophenyl)-3-hydroxypropyl]acetamide?
The canonical SMILES for 2-(3-cyanophenoxy)-N-[(3R)-3-(3,4-dichlorophenyl)-3-hydroxypropyl]acetamide is N#Cc1cccc(OCC(=O)NCC[C@@H](O)c2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of 2-(3-cyanophenoxy)-N-[(3R)-3-(3,4-dichlorophenyl)-3-hydroxypropyl]acetamide?
The InChIKey is KMGPWISSEONQAK-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H16Cl2N2O3/c19-15-5-4-13(9-16(15)20)17(23)6-7-22-18(24)11-25-14-3-1-2-12(8-14)10-21/h1-5,8-9,17,23H,6-7,11H2,(H,22,24)/t17-/m1/s1.
What are the key properties of 2-(3-cyanophenoxy)-N-[(3R)-3-(3,4-dichlorophenyl)-3-hydroxypropyl]acetamide?
2-(3-cyanophenoxy)-N-[(3R)-3-(3,4-dichlorophenyl)-3-hydroxypropyl]acetamide has a molecular weight of 379.24 g/mol, XLogP of 3.48, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyanophenoxy)-N-[(3R)-3-(3,4-dichlorophenyl)-3-hydroxypropyl]acetamide is sourced from PubChem (CID 100636574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).