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

C15H16ClN3O2 — CID 11722658

IUPACN-[4-(5-chloropyrimidin-2-yl)oxy-3-methylphenyl]butanamide
SMILESCCCC(=O)Nc1ccc(Oc2ncc(Cl)cn2)c(C)c1
InChIInChI=1S/C15H16ClN3O2/c1-3-4-14(20)19-12-5-6-13(10(2)7-12)21-15-17-8-11(16)9-18-15/h5-9H,3-4H2,1-2H3,(H,19,20)
InChIKeyPFBIYFPMBRJEIK-UHFFFAOYSA-N
MW305.77 g/mol
LogP3.97
Rot. Bonds5

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

N-[4-(5-chloropyrimidin-2-yl)oxy-3-methylphenyl]butanamide (PubChem CID 11722658) has the molecular formula C15H16ClN3O2 and a molecular weight of 305.77 g/mol. Its IUPAC name is N-[4-(5-chloropyrimidin-2-yl)oxy-3-methylphenyl]butanamide.

Molecular Properties

Compound NameN-[4-(5-chloropyrimidin-2-yl)oxy-3-methylphenyl]butanamide
PubChem CID11722658
Molecular FormulaC15H16ClN3O2
Molecular Weight305.77 g/mol
Exact Mass305.09
IUPAC NameN-[4-(5-chloropyrimidin-2-yl)oxy-3-methylphenyl]butanamide
SMILESCCCC(=O)Nc1ccc(Oc2ncc(Cl)cn2)c(C)c1
InChIInChI=1S/C15H16ClN3O2/c1-3-4-14(20)19-12-5-6-13(10(2)7-12)21-15-17-8-11(16)9-18-15/h5-9H,3-4H2,1-2H3,(H,19,20)
InChIKeyPFBIYFPMBRJEIK-UHFFFAOYSA-N
XLogP3.97
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.77
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(5-chloropyrimidin-2-yl)oxy-3-methylphenyl]heptanamide
CID 10043319
N-[[4-(5-chloropyrimidin-2-yl)oxy-3-methylphenyl]carbamoyl]-2-(diethylamino)benzamide
CID 19900376
N-(3-chloro-4-methoxyphenyl)butanamide
CID 875969
2-[[4-(5-chloropyrimidin-2-yl)oxy-3-methylphenyl]carbamoylcarbamoyl]-N-hydroxybenzeneamine oxide
CID 21141267
4-chloro-N-(4-methoxy-3-methylphenyl)butanamide
CID 63308381
N'-[2-(4-chloro-2-methylphenoxy)acetyl]butanehydrazide
CID 3250924
4-(4-chloro-2-methylphenoxy)-N-[4-[4-[4-(4-chloro-2-methylphenoxy)butanoylamino]phenoxy]phenyl]butanamide
CID 5198436
N-(3-methyl-4-propoxyphenyl)propanamide
CID 130460979
N-[6-(2,4-dimethylphenoxy)-3-pyridinyl]hexanamide
CID 42691192
N-[3-methyl-4-(methylamino)phenyl]butanamide
CID 175204219
[3-(5-chloropyrimidin-2-yl)oxy-4-methylanilino]sulfanyl N-methylcarbamate
CID 88513092
N-(4-bromophenyl)-4-(4-chloro-2-methylphenoxy)butanamide
CID 4174963

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-chloropyrimidin-2-yl)oxy-3-methylphenyl]butanamide?
The IUPAC name of N-[4-(5-chloropyrimidin-2-yl)oxy-3-methylphenyl]butanamide (CID 11722658) is N-[4-(5-chloropyrimidin-2-yl)oxy-3-methylphenyl]butanamide.
What is the SMILES notation for N-[4-(5-chloropyrimidin-2-yl)oxy-3-methylphenyl]butanamide?
The canonical SMILES for N-[4-(5-chloropyrimidin-2-yl)oxy-3-methylphenyl]butanamide is CCCC(=O)Nc1ccc(Oc2ncc(Cl)cn2)c(C)c1.
What is the InChIKey of N-[4-(5-chloropyrimidin-2-yl)oxy-3-methylphenyl]butanamide?
The InChIKey is PFBIYFPMBRJEIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2/c1-3-4-14(20)19-12-5-6-13(10(2)7-12)21-15-17-8-11(16)9-18-15/h5-9H,3-4H2,1-2H3,(H,19,20).
What are the key properties of N-[4-(5-chloropyrimidin-2-yl)oxy-3-methylphenyl]butanamide?
N-[4-(5-chloropyrimidin-2-yl)oxy-3-methylphenyl]butanamide has a molecular weight of 305.77 g/mol, XLogP of 3.97, 5 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]butanamide is sourced from PubChem (CID 11722658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).