N-(4,6-dichloropyrimidin-5-yl)-N-(4-phenoxyphenyl)formamide

C17H11Cl2N3O2 — CID 102431383

IUPACN-(4,6-dichloropyrimidin-5-yl)-N-(4-phenoxyphenyl)formamide
SMILESO=CN(c1ccc(Oc2ccccc2)cc1)c1c(Cl)ncnc1Cl
InChIInChI=1S/C17H11Cl2N3O2/c18-16-15(17(19)21-10-20-16)22(11-23)12-6-8-14(9-7-12)24-13-4-2-1-3-5-13/h1-11H
InChIKeyNVJWXHAFCGYYLS-UHFFFAOYSA-N
MW360.20 g/mol
LogP4.87
Rot. Bonds5

About N-(4,6-dichloropyrimidin-5-yl)-N-(4-phenoxyphenyl)formamide

N-(4,6-dichloropyrimidin-5-yl)-N-(4-phenoxyphenyl)formamide (PubChem CID 102431383) has the molecular formula C17H11Cl2N3O2 and a molecular weight of 360.20 g/mol. Its IUPAC name is N-(4,6-dichloropyrimidin-5-yl)-N-(4-phenoxyphenyl)formamide.

Molecular Properties

Compound NameN-(4,6-dichloropyrimidin-5-yl)-N-(4-phenoxyphenyl)formamide
PubChem CID102431383
Molecular FormulaC17H11Cl2N3O2
Molecular Weight360.20 g/mol
Exact Mass359.02
IUPAC NameN-(4,6-dichloropyrimidin-5-yl)-N-(4-phenoxyphenyl)formamide
SMILESO=CN(c1ccc(Oc2ccccc2)cc1)c1c(Cl)ncnc1Cl
InChIInChI=1S/C17H11Cl2N3O2/c18-16-15(17(19)21-10-20-16)22(11-23)12-6-8-14(9-7-12)24-13-4-2-1-3-5-13/h1-11H
InChIKeyNVJWXHAFCGYYLS-UHFFFAOYSA-N
XLogP4.87
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.20
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-(4-phenoxyphenyl)formamide
CID 53432907
N-[6-amino-5-(N-methyl-4-phenoxyanilino)pyrimidin-4-yl]-N-[3-(methylamino)phenyl]formamide
CID 144769540
N,N-bis(4-chlorophenyl)formamide
CID 7096120
2-chloro-7-phenoxyquinoline-3-carbaldehyde
CID 143687887
6-chloro-5-nitro-N-(4-phenoxyphenyl)pyrimidin-4-amine
CID 23477421
N-phenyl-N-pyridin-3-ylformamide
CID 54269993
1,2-dichloro-4-phenoxybenzene;propanal
CID 174651599
N-(4-methylphenyl)-N-phenylformamide
CID 11063734
2-chloro-5-phenoxybenzaldehyde
CID 131420183
2,2-dichloro-2-(4-phenoxyphenyl)acetaldehyde
CID 87850668
chlorobenzene;phenoxybenzene
CID 66911253
N-[2-(4-chlorophenoxy)-3-pyridinyl]-N-[4-(4,5-dichloro-1H-imidazol-2-yl)phenyl]formamide
CID 53433348

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dichloropyrimidin-5-yl)-N-(4-phenoxyphenyl)formamide?
The IUPAC name of N-(4,6-dichloropyrimidin-5-yl)-N-(4-phenoxyphenyl)formamide (CID 102431383) is N-(4,6-dichloropyrimidin-5-yl)-N-(4-phenoxyphenyl)formamide.
What is the SMILES notation for N-(4,6-dichloropyrimidin-5-yl)-N-(4-phenoxyphenyl)formamide?
The canonical SMILES for N-(4,6-dichloropyrimidin-5-yl)-N-(4-phenoxyphenyl)formamide is O=CN(c1ccc(Oc2ccccc2)cc1)c1c(Cl)ncnc1Cl.
What is the InChIKey of N-(4,6-dichloropyrimidin-5-yl)-N-(4-phenoxyphenyl)formamide?
The InChIKey is NVJWXHAFCGYYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2N3O2/c18-16-15(17(19)21-10-20-16)22(11-23)12-6-8-14(9-7-12)24-13-4-2-1-3-5-13/h1-11H.
What are the key properties of N-(4,6-dichloropyrimidin-5-yl)-N-(4-phenoxyphenyl)formamide?
N-(4,6-dichloropyrimidin-5-yl)-N-(4-phenoxyphenyl)formamide has a molecular weight of 360.20 g/mol, XLogP of 4.87, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dichloropyrimidin-5-yl)-N-(4-phenoxyphenyl)formamide is sourced from PubChem (CID 102431383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).