4-chloro-N-(3-pyrimidin-2-yloxyphenyl)benzamide

C17H12ClN3O2 — CID 39262452

IUPAC4-chloro-N-(3-pyrimidin-2-yloxyphenyl)benzamide
SMILESO=C(Nc1cccc(Oc2ncccn2)c1)c1ccc(Cl)cc1
InChIInChI=1S/C17H12ClN3O2/c18-13-7-5-12(6-8-13)16(22)21-14-3-1-4-15(11-14)23-17-19-9-2-10-20-17/h1-11H,(H,21,22)
InChIKeySBUYUYVKAHKKLQ-UHFFFAOYSA-N
MW325.76 g/mol
LogP4.17
Rot. Bonds4

About 4-chloro-N-(3-pyrimidin-2-yloxyphenyl)benzamide

4-chloro-N-(3-pyrimidin-2-yloxyphenyl)benzamide (PubChem CID 39262452) has the molecular formula C17H12ClN3O2 and a molecular weight of 325.76 g/mol. Its IUPAC name is 4-chloro-N-(3-pyrimidin-2-yloxyphenyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(3-pyrimidin-2-yloxyphenyl)benzamide
PubChem CID39262452
Molecular FormulaC17H12ClN3O2
Molecular Weight325.76 g/mol
Exact Mass325.06
IUPAC Name4-chloro-N-(3-pyrimidin-2-yloxyphenyl)benzamide
SMILESO=C(Nc1cccc(Oc2ncccn2)c1)c1ccc(Cl)cc1
InChIInChI=1S/C17H12ClN3O2/c18-13-7-5-12(6-8-13)16(22)21-14-3-1-4-15(11-14)23-17-19-9-2-10-20-17/h1-11H,(H,21,22)
InChIKeySBUYUYVKAHKKLQ-UHFFFAOYSA-N
XLogP4.17
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.76
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)-N-(3-pyrimidin-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 166208502
4-nitro-N-(3-pyrimidin-2-yloxyphenyl)benzamide
CID 39262446
4-chloro-N-[3-(3,3-dimethyl-2-oxobutoxy)phenyl]benzamide
CID 19645276
4-[4-[(4-pyrimidin-2-yloxyphenyl)carbamoyl]phenoxy]benzamide
CID 56548979
2,4,5-trimethyl-N-(3-pyrimidin-2-yloxyphenyl)furan-3-carboxamide
CID 51090175
4-bromo-N-[3-[2-(4-chlorophenyl)-2-oxoethoxy]phenyl]benzamide
CID 19644940
3-chloro-N-(3-pyridin-3-yloxyphenyl)benzamide
CID 58337765
N-(4-chlorophenyl)-4-(3-methylphenoxy)benzamide
CID 16650944
4-chloro-N-[3-[1-(3-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]benzamide
CID 19645135
4-N-(3-chlorophenyl)-2-N-(3-methoxyphenyl)pyridine-2,4-dicarboxamide
CID 109092816
2-[3-[(4-chlorobenzoyl)amino]phenoxy]carbonylbenzoic acid
CID 23904668
N-pyridin-2-yl-4-pyrimidin-2-yloxybenzamide
CID 56724080

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-pyrimidin-2-yloxyphenyl)benzamide?
The IUPAC name of 4-chloro-N-(3-pyrimidin-2-yloxyphenyl)benzamide (CID 39262452) is 4-chloro-N-(3-pyrimidin-2-yloxyphenyl)benzamide.
What is the SMILES notation for 4-chloro-N-(3-pyrimidin-2-yloxyphenyl)benzamide?
The canonical SMILES for 4-chloro-N-(3-pyrimidin-2-yloxyphenyl)benzamide is O=C(Nc1cccc(Oc2ncccn2)c1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(3-pyrimidin-2-yloxyphenyl)benzamide?
The InChIKey is SBUYUYVKAHKKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN3O2/c18-13-7-5-12(6-8-13)16(22)21-14-3-1-4-15(11-14)23-17-19-9-2-10-20-17/h1-11H,(H,21,22).
What are the key properties of 4-chloro-N-(3-pyrimidin-2-yloxyphenyl)benzamide?
4-chloro-N-(3-pyrimidin-2-yloxyphenyl)benzamide has a molecular weight of 325.76 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-pyrimidin-2-yloxyphenyl)benzamide is sourced from PubChem (CID 39262452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).