(E)-N-[4-(4-chlorophenoxy)phenyl]-3-pyrimidin-4-ylprop-2-enamide

C19H14ClN3O2 — CID 166224362

IUPAC(E)-N-[4-(4-chlorophenoxy)phenyl]-3-pyrimidin-4-ylprop-2-enamide
SMILESO=C(/C=C/c1ccncn1)Nc1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H14ClN3O2/c20-14-1-6-17(7-2-14)25-18-8-3-16(4-9-18)23-19(24)10-5-15-11-12-21-13-22-15/h1-13H,(H,23,24)/b10-5+
InChIKeyDRUYAYLYAIAHQJ-BJMVGYQFSA-N
MW351.79 g/mol
LogP4.57
Rot. Bonds5

About (E)-N-[4-(4-chlorophenoxy)phenyl]-3-pyrimidin-4-ylprop-2-enamide

(E)-N-[4-(4-chlorophenoxy)phenyl]-3-pyrimidin-4-ylprop-2-enamide (PubChem CID 166224362) has the molecular formula C19H14ClN3O2 and a molecular weight of 351.79 g/mol. Its IUPAC name is (E)-N-[4-(4-chlorophenoxy)phenyl]-3-pyrimidin-4-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-(4-chlorophenoxy)phenyl]-3-pyrimidin-4-ylprop-2-enamide
PubChem CID166224362
Molecular FormulaC19H14ClN3O2
Molecular Weight351.79 g/mol
Exact Mass351.08
IUPAC Name(E)-N-[4-(4-chlorophenoxy)phenyl]-3-pyrimidin-4-ylprop-2-enamide
SMILESO=C(/C=C/c1ccncn1)Nc1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H14ClN3O2/c20-14-1-6-17(7-2-14)25-18-8-3-16(4-9-18)23-19(24)10-5-15-11-12-21-13-22-15/h1-13H,(H,23,24)/b10-5+
InChIKeyDRUYAYLYAIAHQJ-BJMVGYQFSA-N
XLogP4.57
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.79
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-(4-chlorophenyl)-N-(4-phenoxyphenyl)prop-2-enamide
CID 892966
(E)-3-(4-chlorophenyl)-N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]prop-2-enamide
CID 122312112
3-(2,6-dichlorophenyl)-N-[4-[4-[3-(2,6-dichlorophenyl)prop-2-enoylamino]phenoxy]phenyl]prop-2-enamide
CID 3575829
(E)-3-(2-chlorophenyl)-N-[4-[4-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]phenoxy]phenyl]prop-2-enamide
CID 6242476
3-(4-chlorophenyl)-N-(4-methoxyphenyl)prop-2-enamide
CID 692413
N-(4-chlorophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 773597
(E)-3-(4-chlorophenyl)-N-(4-ethoxyphenyl)prop-2-enamide
CID 692423
N-(4-chlorophenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 886082
(E)-N-(4-chlorophenyl)-3-[4-(cyanomethoxy)phenyl]prop-2-enamide
CID 26581088
(E)-3-(5-bromo-2-methoxyphenyl)-N-[4-(4-chlorophenoxy)phenyl]prop-2-enamide
CID 17111288
(Z)-N-(4-pyrimidin-2-yloxyphenyl)-3-(1,3-thiazol-4-yl)prop-2-enamide
CID 97462495
(E)-3-(4-chlorophenyl)-N-(4-propoxyphenyl)prop-2-enamide
CID 17195487

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-(4-chlorophenoxy)phenyl]-3-pyrimidin-4-ylprop-2-enamide?
The IUPAC name of (E)-N-[4-(4-chlorophenoxy)phenyl]-3-pyrimidin-4-ylprop-2-enamide (CID 166224362) is (E)-N-[4-(4-chlorophenoxy)phenyl]-3-pyrimidin-4-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[4-(4-chlorophenoxy)phenyl]-3-pyrimidin-4-ylprop-2-enamide?
The canonical SMILES for (E)-N-[4-(4-chlorophenoxy)phenyl]-3-pyrimidin-4-ylprop-2-enamide is O=C(/C=C/c1ccncn1)Nc1ccc(Oc2ccc(Cl)cc2)cc1.
What is the InChIKey of (E)-N-[4-(4-chlorophenoxy)phenyl]-3-pyrimidin-4-ylprop-2-enamide?
The InChIKey is DRUYAYLYAIAHQJ-BJMVGYQFSA-N. The full InChI is InChI=1S/C19H14ClN3O2/c20-14-1-6-17(7-2-14)25-18-8-3-16(4-9-18)23-19(24)10-5-15-11-12-21-13-22-15/h1-13H,(H,23,24)/b10-5+.
What are the key properties of (E)-N-[4-(4-chlorophenoxy)phenyl]-3-pyrimidin-4-ylprop-2-enamide?
(E)-N-[4-(4-chlorophenoxy)phenyl]-3-pyrimidin-4-ylprop-2-enamide has a molecular weight of 351.79 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-(4-chlorophenoxy)phenyl]-3-pyrimidin-4-ylprop-2-enamide is sourced from PubChem (CID 166224362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).