N-[4-(4-chlorophenoxy)phenyl]-N-(2-cyclopropylpyrimidin-4-yl)acetamide

C21H18ClN3O2 — CID 54262301

IUPACN-[4-(4-chlorophenoxy)phenyl]-N-(2-cyclopropylpyrimidin-4-yl)acetamide
SMILESCC(=O)N(c1ccc(Oc2ccc(Cl)cc2)cc1)c1ccnc(C2CC2)n1
InChIInChI=1S/C21H18ClN3O2/c1-14(26)25(20-12-13-23-21(24-20)15-2-3-15)17-6-10-19(11-7-17)27-18-8-4-16(22)5-9-18/h4-13,15H,2-3H2,1H3
InChIKeyREIWIUVCDDTVAH-UHFFFAOYSA-N
MW379.85 g/mol
LogP5.48
Rot. Bonds5

About N-[4-(4-chlorophenoxy)phenyl]-N-(2-cyclopropylpyrimidin-4-yl)acetamide

N-[4-(4-chlorophenoxy)phenyl]-N-(2-cyclopropylpyrimidin-4-yl)acetamide (PubChem CID 54262301) has the molecular formula C21H18ClN3O2 and a molecular weight of 379.85 g/mol. Its IUPAC name is N-[4-(4-chlorophenoxy)phenyl]-N-(2-cyclopropylpyrimidin-4-yl)acetamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenoxy)phenyl]-N-(2-cyclopropylpyrimidin-4-yl)acetamide
PubChem CID54262301
Molecular FormulaC21H18ClN3O2
Molecular Weight379.85 g/mol
Exact Mass379.11
IUPAC NameN-[4-(4-chlorophenoxy)phenyl]-N-(2-cyclopropylpyrimidin-4-yl)acetamide
SMILESCC(=O)N(c1ccc(Oc2ccc(Cl)cc2)cc1)c1ccnc(C2CC2)n1
InChIInChI=1S/C21H18ClN3O2/c1-14(26)25(20-12-13-23-21(24-20)15-2-3-15)17-6-10-19(11-7-17)27-18-8-4-16(22)5-9-18/h4-13,15H,2-3H2,1H3
InChIKeyREIWIUVCDDTVAH-UHFFFAOYSA-N
XLogP5.48
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.85
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenoxy)phenyl]-N-(2-cyclopropylpyrimidin-4-yl)acetamide?
The IUPAC name of N-[4-(4-chlorophenoxy)phenyl]-N-(2-cyclopropylpyrimidin-4-yl)acetamide (CID 54262301) is N-[4-(4-chlorophenoxy)phenyl]-N-(2-cyclopropylpyrimidin-4-yl)acetamide.
What is the SMILES notation for N-[4-(4-chlorophenoxy)phenyl]-N-(2-cyclopropylpyrimidin-4-yl)acetamide?
The canonical SMILES for N-[4-(4-chlorophenoxy)phenyl]-N-(2-cyclopropylpyrimidin-4-yl)acetamide is CC(=O)N(c1ccc(Oc2ccc(Cl)cc2)cc1)c1ccnc(C2CC2)n1.
What is the InChIKey of N-[4-(4-chlorophenoxy)phenyl]-N-(2-cyclopropylpyrimidin-4-yl)acetamide?
The InChIKey is REIWIUVCDDTVAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O2/c1-14(26)25(20-12-13-23-21(24-20)15-2-3-15)17-6-10-19(11-7-17)27-18-8-4-16(22)5-9-18/h4-13,15H,2-3H2,1H3.
What are the key properties of N-[4-(4-chlorophenoxy)phenyl]-N-(2-cyclopropylpyrimidin-4-yl)acetamide?
N-[4-(4-chlorophenoxy)phenyl]-N-(2-cyclopropylpyrimidin-4-yl)acetamide has a molecular weight of 379.85 g/mol, XLogP of 5.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenoxy)phenyl]-N-(2-cyclopropylpyrimidin-4-yl)acetamide is sourced from PubChem (CID 54262301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).