4-(2,4-dichlorophenoxy)-N-pyrimidin-2-ylbutanamide

C14H13Cl2N3O2 — CID 2244635

IUPAC4-(2,4-dichlorophenoxy)-N-pyrimidin-2-ylbutanamide
SMILESO=C(CCCOc1ccc(Cl)cc1Cl)Nc1ncccn1
InChIInChI=1S/C14H13Cl2N3O2/c15-10-4-5-12(11(16)9-10)21-8-1-3-13(20)19-14-17-6-2-7-18-14/h2,4-7,9H,1,3,8H2,(H,17,18,19,20)
InChIKeyNXTLSXDRGJETNY-UHFFFAOYSA-N
MW326.18 g/mol
LogP3.58
Rot. Bonds6

About 4-(2,4-dichlorophenoxy)-N-pyrimidin-2-ylbutanamide

4-(2,4-dichlorophenoxy)-N-pyrimidin-2-ylbutanamide (PubChem CID 2244635) has the molecular formula C14H13Cl2N3O2 and a molecular weight of 326.18 g/mol. Its IUPAC name is 4-(2,4-dichlorophenoxy)-N-pyrimidin-2-ylbutanamide.

Molecular Properties

Compound Name4-(2,4-dichlorophenoxy)-N-pyrimidin-2-ylbutanamide
PubChem CID2244635
Molecular FormulaC14H13Cl2N3O2
Molecular Weight326.18 g/mol
Exact Mass325.04
IUPAC Name4-(2,4-dichlorophenoxy)-N-pyrimidin-2-ylbutanamide
SMILESO=C(CCCOc1ccc(Cl)cc1Cl)Nc1ncccn1
InChIInChI=1S/C14H13Cl2N3O2/c15-10-4-5-12(11(16)9-10)21-8-1-3-13(20)19-14-17-6-2-7-18-14/h2,4-7,9H,1,3,8H2,(H,17,18,19,20)
InChIKeyNXTLSXDRGJETNY-UHFFFAOYSA-N
XLogP3.58
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.18
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chlorophenoxy)-N-(pyrimidin-2-yl)acetamide
CID 686157
2-(2,4-dichlorophenoxy)-N-pyridin-2-ylacetamide
CID 792334
4-(2,4-dichlorophenoxy)-N-(pyridin-2-yl)butanamide
CID 1581462
4-[1-(2,4-Dichlorophenoxy)ethyl]pyrimidin-2-amine
CID 4364908
N-(5-chloropyridin-2-yl)-2-(2,4-dichlorophenoxy)acetamide
CID 871057
2-(4-chlorophenoxy)-N-(4-methylpyrimidin-2-yl)acetamide
CID 1094212
2-(4-chlorophenoxy)-2-methyl-N-(pyrimidin-2-yl)propanamide
CID 596278
4-(2,4-dichlorophenoxy)-N-(pyridin-4-yl)butanamide
CID 1722540
2-(2,4-dichlorophenoxy)-N-pyrimidin-2-ylpropanamide
CID 2862668
N-(5-chloropyridin-2-yl)-4-phenoxybutanamide
CID 1582691
2-(4-chlorophenoxy)-N-(pyrimidin-2-yl)propanamide
CID 655197
4-phenoxy-N-(pyrimidin-2-yl)butanamide
CID 2163064

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenoxy)-N-pyrimidin-2-ylbutanamide?
The IUPAC name of 4-(2,4-dichlorophenoxy)-N-pyrimidin-2-ylbutanamide (CID 2244635) is 4-(2,4-dichlorophenoxy)-N-pyrimidin-2-ylbutanamide.
What is the SMILES notation for 4-(2,4-dichlorophenoxy)-N-pyrimidin-2-ylbutanamide?
The canonical SMILES for 4-(2,4-dichlorophenoxy)-N-pyrimidin-2-ylbutanamide is O=C(CCCOc1ccc(Cl)cc1Cl)Nc1ncccn1.
What is the InChIKey of 4-(2,4-dichlorophenoxy)-N-pyrimidin-2-ylbutanamide?
The InChIKey is NXTLSXDRGJETNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N3O2/c15-10-4-5-12(11(16)9-10)21-8-1-3-13(20)19-14-17-6-2-7-18-14/h2,4-7,9H,1,3,8H2,(H,17,18,19,20).
What are the key properties of 4-(2,4-dichlorophenoxy)-N-pyrimidin-2-ylbutanamide?
4-(2,4-dichlorophenoxy)-N-pyrimidin-2-ylbutanamide has a molecular weight of 326.18 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenoxy)-N-pyrimidin-2-ylbutanamide is sourced from PubChem (CID 2244635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).