2-chloro-N-[2-(3-chlorophenyl)pyrimidin-5-yl]-4-fluorobenzamide

C17H10Cl2FN3O — CID 87050750

IUPAC2-chloro-N-[2-(3-chlorophenyl)pyrimidin-5-yl]-4-fluorobenzamide
SMILESO=C(Nc1cnc(-c2cccc(Cl)c2)nc1)c1ccc(F)cc1Cl
InChIInChI=1S/C17H10Cl2FN3O/c18-11-3-1-2-10(6-11)16-21-8-13(9-22-16)23-17(24)14-5-4-12(20)7-15(14)19/h1-9H,(H,23,24)
InChIKeyFJLKJXHXJRCECN-UHFFFAOYSA-N
MW362.19 g/mol
LogP4.84
Rot. Bonds3

About 2-chloro-N-[2-(3-chlorophenyl)pyrimidin-5-yl]-4-fluorobenzamide

2-chloro-N-[2-(3-chlorophenyl)pyrimidin-5-yl]-4-fluorobenzamide (PubChem CID 87050750) has the molecular formula C17H10Cl2FN3O and a molecular weight of 362.19 g/mol. Its IUPAC name is 2-chloro-N-[2-(3-chlorophenyl)pyrimidin-5-yl]-4-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(3-chlorophenyl)pyrimidin-5-yl]-4-fluorobenzamide
PubChem CID87050750
Molecular FormulaC17H10Cl2FN3O
Molecular Weight362.19 g/mol
Exact Mass361.02
IUPAC Name2-chloro-N-[2-(3-chlorophenyl)pyrimidin-5-yl]-4-fluorobenzamide
SMILESO=C(Nc1cnc(-c2cccc(Cl)c2)nc1)c1ccc(F)cc1Cl
InChIInChI=1S/C17H10Cl2FN3O/c18-11-3-1-2-10(6-11)16-21-8-13(9-22-16)23-17(24)14-5-4-12(20)7-15(14)19/h1-9H,(H,23,24)
InChIKeyFJLKJXHXJRCECN-UHFFFAOYSA-N
XLogP4.84
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.19
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-chlorophenyl)pyrimidin-5-yl]-2,5-difluorobenzamide
CID 87050753
N-[2-(3-chlorophenyl)pyrimidin-5-yl]thiophene-2-carboxamide
CID 87050770
N-(3-bromophenyl)-2-chloro-4-fluorobenzamide
CID 24699810
4-[(2-chloro-4-fluorobenzoyl)amino]benzenesulfonyl chloride
CID 43096347
2-amino-N-(3-chlorophenyl)-4-fluorobenzamide
CID 55177097
2-chloro-N-(2,5-difluorophenyl)-4-fluorobenzamide
CID 26361023
N-[2-(4-chlorophenyl)pyrimidin-5-yl]-4-fluorobenzamide
CID 87050714
methyl 4-[(2-chloro-4-fluorobenzoyl)amino]benzoate
CID 6469488
2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-fluorobenzamide
CID 17168217
2-chloro-4-fluoro-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzamide
CID 121112875
2-chloro-N-(4-ethylphenyl)-4-fluorobenzamide
CID 26697286
2-chloro-4-fluoro-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide
CID 55783783

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(3-chlorophenyl)pyrimidin-5-yl]-4-fluorobenzamide?
The IUPAC name of 2-chloro-N-[2-(3-chlorophenyl)pyrimidin-5-yl]-4-fluorobenzamide (CID 87050750) is 2-chloro-N-[2-(3-chlorophenyl)pyrimidin-5-yl]-4-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-[2-(3-chlorophenyl)pyrimidin-5-yl]-4-fluorobenzamide?
The canonical SMILES for 2-chloro-N-[2-(3-chlorophenyl)pyrimidin-5-yl]-4-fluorobenzamide is O=C(Nc1cnc(-c2cccc(Cl)c2)nc1)c1ccc(F)cc1Cl.
What is the InChIKey of 2-chloro-N-[2-(3-chlorophenyl)pyrimidin-5-yl]-4-fluorobenzamide?
The InChIKey is FJLKJXHXJRCECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl2FN3O/c18-11-3-1-2-10(6-11)16-21-8-13(9-22-16)23-17(24)14-5-4-12(20)7-15(14)19/h1-9H,(H,23,24).
What are the key properties of 2-chloro-N-[2-(3-chlorophenyl)pyrimidin-5-yl]-4-fluorobenzamide?
2-chloro-N-[2-(3-chlorophenyl)pyrimidin-5-yl]-4-fluorobenzamide has a molecular weight of 362.19 g/mol, XLogP of 4.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(3-chlorophenyl)pyrimidin-5-yl]-4-fluorobenzamide is sourced from PubChem (CID 87050750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).