N-[4-(5-chloropyrimidin-2-yl)oxy-3-methylphenyl]heptanamide

C18H22ClN3O2 — CID 10043319

IUPACN-[4-(5-chloropyrimidin-2-yl)oxy-3-methylphenyl]heptanamide
SMILESCCCCCCC(=O)Nc1ccc(Oc2ncc(Cl)cn2)c(C)c1
InChIInChI=1S/C18H22ClN3O2/c1-3-4-5-6-7-17(23)22-15-8-9-16(13(2)10-15)24-18-20-11-14(19)12-21-18/h8-12H,3-7H2,1-2H3,(H,22,23)
InChIKeyOUSNEDKZBRNMNZ-UHFFFAOYSA-N
MW347.85 g/mol
LogP5.14
Rot. Bonds8

About N-[4-(5-chloropyrimidin-2-yl)oxy-3-methylphenyl]heptanamide

N-[4-(5-chloropyrimidin-2-yl)oxy-3-methylphenyl]heptanamide (PubChem CID 10043319) has the molecular formula C18H22ClN3O2 and a molecular weight of 347.85 g/mol. Its IUPAC name is N-[4-(5-chloropyrimidin-2-yl)oxy-3-methylphenyl]heptanamide.

Molecular Properties

Compound NameN-[4-(5-chloropyrimidin-2-yl)oxy-3-methylphenyl]heptanamide
PubChem CID10043319
Molecular FormulaC18H22ClN3O2
Molecular Weight347.85 g/mol
Exact Mass347.14
IUPAC NameN-[4-(5-chloropyrimidin-2-yl)oxy-3-methylphenyl]heptanamide
SMILESCCCCCCC(=O)Nc1ccc(Oc2ncc(Cl)cn2)c(C)c1
InChIInChI=1S/C18H22ClN3O2/c1-3-4-5-6-7-17(23)22-15-8-9-16(13(2)10-15)24-18-20-11-14(19)12-21-18/h8-12H,3-7H2,1-2H3,(H,22,23)
InChIKeyOUSNEDKZBRNMNZ-UHFFFAOYSA-N
XLogP5.14
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.85
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[4-(5-chloropyrimidin-2-yl)oxy-3-methylphenyl]heptanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(5-chloropyrimidin-2-yl)oxy-3-methylphenyl]butanamide
CID 11722658
N-[6-(2,4-dimethylphenoxy)-3-pyridinyl]hexanamide
CID 42691192
N-(3,4-dimethylphenyl)dodecanamide
CID 4067786
N-(4-hydroxy-3-methylphenyl)tetradecanamide
CID 91054297
N-(4-chlorophenyl)tridecanamide
CID 4195215
N-(2-chloro-4-pyridinyl)heptanamide
CID 15790514
4-chloro-N-(4-methoxy-3-methylphenyl)butanamide
CID 63308381
N-[[4-(5-chloropyrimidin-2-yl)oxy-3-methylphenyl]carbamoyl]-2-(diethylamino)benzamide
CID 19900376
N-[4-(icosanoylamino)phenyl]icosanamide
CID 101291044
4-(4-chloro-2-methylphenoxy)-N-[4-[4-[4-(4-chloro-2-methylphenoxy)butanoylamino]phenoxy]phenyl]butanamide
CID 5198436
7-amino-N-(3-methyl-4-pyridin-3-yloxyphenyl)heptanamide
CID 119864464
N-(3,5-dichlorophenyl)nonanamide
CID 3459184

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-chloropyrimidin-2-yl)oxy-3-methylphenyl]heptanamide?
The IUPAC name of N-[4-(5-chloropyrimidin-2-yl)oxy-3-methylphenyl]heptanamide (CID 10043319) is N-[4-(5-chloropyrimidin-2-yl)oxy-3-methylphenyl]heptanamide.
What is the SMILES notation for N-[4-(5-chloropyrimidin-2-yl)oxy-3-methylphenyl]heptanamide?
The canonical SMILES for N-[4-(5-chloropyrimidin-2-yl)oxy-3-methylphenyl]heptanamide is CCCCCCC(=O)Nc1ccc(Oc2ncc(Cl)cn2)c(C)c1.
What is the InChIKey of N-[4-(5-chloropyrimidin-2-yl)oxy-3-methylphenyl]heptanamide?
The InChIKey is OUSNEDKZBRNMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O2/c1-3-4-5-6-7-17(23)22-15-8-9-16(13(2)10-15)24-18-20-11-14(19)12-21-18/h8-12H,3-7H2,1-2H3,(H,22,23).
What are the key properties of N-[4-(5-chloropyrimidin-2-yl)oxy-3-methylphenyl]heptanamide?
N-[4-(5-chloropyrimidin-2-yl)oxy-3-methylphenyl]heptanamide has a molecular weight of 347.85 g/mol, XLogP of 5.14, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-chloropyrimidin-2-yl)oxy-3-methylphenyl]heptanamide is sourced from PubChem (CID 10043319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).