2-[4-[2-(4-chlorophenoxy)ethyl]phenyl]acetamide

C16H16ClNO2 — CID 72937831

IUPAC2-[4-[2-(4-chlorophenoxy)ethyl]phenyl]acetamide
SMILESNC(=O)Cc1ccc(CCOc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H16ClNO2/c17-14-5-7-15(8-6-14)20-10-9-12-1-3-13(4-2-12)11-16(18)19/h1-8H,9-11H2,(H2,18,19)
InChIKeyRBUKLENONNIRNW-UHFFFAOYSA-N
MW289.76 g/mol
LogP2.99
Rot. Bonds6

About 2-[4-[2-(4-chlorophenoxy)ethyl]phenyl]acetamide

2-[4-[2-(4-chlorophenoxy)ethyl]phenyl]acetamide (PubChem CID 72937831) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is 2-[4-[2-(4-chlorophenoxy)ethyl]phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[2-(4-chlorophenoxy)ethyl]phenyl]acetamide
PubChem CID72937831
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC Name2-[4-[2-(4-chlorophenoxy)ethyl]phenyl]acetamide
SMILESNC(=O)Cc1ccc(CCOc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H16ClNO2/c17-14-5-7-15(8-6-14)20-10-9-12-1-3-13(4-2-12)11-16(18)19/h1-8H,9-11H2,(H2,18,19)
InChIKeyRBUKLENONNIRNW-UHFFFAOYSA-N
XLogP2.99
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[3-(4-chlorophenoxy)propoxy]phenyl]acetic acid
CID 22761079
2-(4-chlorophenyl)ethyl carbamate
CID 90103604
2-[4-(2-aminoethyl)phenyl]acetamide
CID 70268423
5-[4-(2-aminoethyl)phenoxy]pentanamide
CID 114281504
1-chloro-4-[2-(4-methylsulfanylphenyl)ethoxy]benzene
CID 142678583
N'-(4-chlorobenzoyl)-4-(2-phenylethoxy)benzohydrazide
CID 4956611
2-(4-chlorophenyl)-N-[4-(3-phenylpropoxy)phenyl]acetamide
CID 17130169
ethyl 4-[4-(2-amino-2-oxoethyl)phenoxy]butanoate
CID 156541530
2-amino-N-[4-[2-[4-(4-chlorophenyl)phenyl]ethoxy]phenyl]-3-hydroxypropanamide
CID 143188428
3-[4-[2-(4-chlorophenyl)ethoxy]phenyl]-1-methoxy-1-methylurea
CID 12953558
[4-(2-phenylethoxy)phenyl]methyl carbamate
CID 141040425
3-[4-[2-(4-chlorophenyl)acetyl]phenoxy]propanoic acid
CID 146594189

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-chlorophenoxy)ethyl]phenyl]acetamide?
The IUPAC name of 2-[4-[2-(4-chlorophenoxy)ethyl]phenyl]acetamide (CID 72937831) is 2-[4-[2-(4-chlorophenoxy)ethyl]phenyl]acetamide.
What is the SMILES notation for 2-[4-[2-(4-chlorophenoxy)ethyl]phenyl]acetamide?
The canonical SMILES for 2-[4-[2-(4-chlorophenoxy)ethyl]phenyl]acetamide is NC(=O)Cc1ccc(CCOc2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-[4-[2-(4-chlorophenoxy)ethyl]phenyl]acetamide?
The InChIKey is RBUKLENONNIRNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2/c17-14-5-7-15(8-6-14)20-10-9-12-1-3-13(4-2-12)11-16(18)19/h1-8H,9-11H2,(H2,18,19).
What are the key properties of 2-[4-[2-(4-chlorophenoxy)ethyl]phenyl]acetamide?
2-[4-[2-(4-chlorophenoxy)ethyl]phenyl]acetamide has a molecular weight of 289.76 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4-chlorophenoxy)ethyl]phenyl]acetamide is sourced from PubChem (CID 72937831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).