4-(2-chloro-6-fluorobenzoyl)-N-pyrimidin-5-yl-1H-pyrrole-2-carboxamide

C16H10ClFN4O2 — CID 118959146

IUPAC4-(2-chloro-6-fluorobenzoyl)-N-pyrimidin-5-yl-1H-pyrrole-2-carboxamide
SMILESO=C(Nc1cncnc1)c1cc(C(=O)c2c(F)cccc2Cl)c[nH]1
InChIInChI=1S/C16H10ClFN4O2/c17-11-2-1-3-12(18)14(11)15(23)9-4-13(21-5-9)16(24)22-10-6-19-8-20-7-10/h1-8,21H,(H,22,24)
InChIKeyDPWRAPSPEZXMPU-UHFFFAOYSA-N
MW344.73 g/mol
LogP3.08
Rot. Bonds4

About 4-(2-chloro-6-fluorobenzoyl)-N-pyrimidin-5-yl-1H-pyrrole-2-carboxamide

4-(2-chloro-6-fluorobenzoyl)-N-pyrimidin-5-yl-1H-pyrrole-2-carboxamide (PubChem CID 118959146) has the molecular formula C16H10ClFN4O2 and a molecular weight of 344.73 g/mol. Its IUPAC name is 4-(2-chloro-6-fluorobenzoyl)-N-pyrimidin-5-yl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-(2-chloro-6-fluorobenzoyl)-N-pyrimidin-5-yl-1H-pyrrole-2-carboxamide
PubChem CID118959146
Molecular FormulaC16H10ClFN4O2
Molecular Weight344.73 g/mol
Exact Mass344.05
IUPAC Name4-(2-chloro-6-fluorobenzoyl)-N-pyrimidin-5-yl-1H-pyrrole-2-carboxamide
SMILESO=C(Nc1cncnc1)c1cc(C(=O)c2c(F)cccc2Cl)c[nH]1
InChIInChI=1S/C16H10ClFN4O2/c17-11-2-1-3-12(18)14(11)15(23)9-4-13(21-5-9)16(24)22-10-6-19-8-20-7-10/h1-8,21H,(H,22,24)
InChIKeyDPWRAPSPEZXMPU-UHFFFAOYSA-N
XLogP3.08
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.73
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-Aminopyrimidin-4-Yl)-2-(5-Chloro-2-Methylphenyl)-1h-Pyrrole-3-Carboxamide
CID 57659335
5-(2-Aminopyrimidin-4-yl)-2-(2-chloro-5-(trifluoromethyl)phenyl)-1H-pyrrole-3-carboxamide
CID 66570958
N-(4-chloro-3-(5-methyl-1H-imidazol-2-yl)phenyl)-2-methyl-6-(trifluoromethyl)nicotinamide
CID 25217563
Pyrimidine-4-carboxamide, 63
CID 44520945
Pyrimidine-4-carboxamide, 64
CID 44520959
4-(2-chloro-4-fluorobenzoyl)-N-methyl-1H-pyrrole-2-carboxamide
CID 2766547
4-Benzoyl-N-2-pyridinyl-1H-imidazole-5-carboxamide
CID 604408
4-[2-(4-chlorophenyl)acetyl]-N-(3-pyridinylmethyl)-1H-pyrrole-2-carboxamide
CID 3618231
5-(2-aminopyrimidin-4-yl)-2-(2-chlorophenyl)-1H-pyrrole-3-carboxamide
CID 24809801
5-(2-aminopyrimidin-4-yl)-2-(2,4-dichlorophenyl)-1H-pyrrole-3-carboxamide
CID 24809803
5-(2-aminopyrimidin-4-yl)-2-(4-chloro-2-fluorophenyl)-1H-pyrrole-3-carboxamide
CID 24809834
5-(2-amino-5-chloropyrimidin-4-yl)-2-p-tolyl-1H-pyrrole-3-carboxamide
CID 24809931

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-6-fluorobenzoyl)-N-pyrimidin-5-yl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-(2-chloro-6-fluorobenzoyl)-N-pyrimidin-5-yl-1H-pyrrole-2-carboxamide (CID 118959146) is 4-(2-chloro-6-fluorobenzoyl)-N-pyrimidin-5-yl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-(2-chloro-6-fluorobenzoyl)-N-pyrimidin-5-yl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-(2-chloro-6-fluorobenzoyl)-N-pyrimidin-5-yl-1H-pyrrole-2-carboxamide is O=C(Nc1cncnc1)c1cc(C(=O)c2c(F)cccc2Cl)c[nH]1.
What is the InChIKey of 4-(2-chloro-6-fluorobenzoyl)-N-pyrimidin-5-yl-1H-pyrrole-2-carboxamide?
The InChIKey is DPWRAPSPEZXMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClFN4O2/c17-11-2-1-3-12(18)14(11)15(23)9-4-13(21-5-9)16(24)22-10-6-19-8-20-7-10/h1-8,21H,(H,22,24).
What are the key properties of 4-(2-chloro-6-fluorobenzoyl)-N-pyrimidin-5-yl-1H-pyrrole-2-carboxamide?
4-(2-chloro-6-fluorobenzoyl)-N-pyrimidin-5-yl-1H-pyrrole-2-carboxamide has a molecular weight of 344.73 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-6-fluorobenzoyl)-N-pyrimidin-5-yl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 118959146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).