N-[(3-chloro-4-fluorophenyl)methyl]-5-hydroxy-2-(3-methylphenyl)-6-oxo-1H-pyrimidine-4-carboxamide

C19H15ClFN3O3 — CID 135601938

IUPACN-[(3-chloro-4-fluorophenyl)methyl]-5-hydroxy-2-(3-methylphenyl)-6-oxo-1H-pyrimidine-4-carboxamide
SMILESCc1cccc(-c2nc(C(=O)NCc3ccc(F)c(Cl)c3)c(O)c(=O)[nH]2)c1
InChIInChI=1S/C19H15ClFN3O3/c1-10-3-2-4-12(7-10)17-23-15(16(25)19(27)24-17)18(26)22-9-11-5-6-14(21)13(20)8-11/h2-8,25H,9H2,1H3,(H,22,26)(H,23,24,27)
InChIKeyLCTJGBSVYPSAFU-UHFFFAOYSA-N
MW387.80 g/mol
LogP3.17
Rot. Bonds4

About N-[(3-chloro-4-fluorophenyl)methyl]-5-hydroxy-2-(3-methylphenyl)-6-oxo-1H-pyrimidine-4-carboxamide

N-[(3-chloro-4-fluorophenyl)methyl]-5-hydroxy-2-(3-methylphenyl)-6-oxo-1H-pyrimidine-4-carboxamide (PubChem CID 135601938) has the molecular formula C19H15ClFN3O3 and a molecular weight of 387.80 g/mol. Its IUPAC name is N-[(3-chloro-4-fluorophenyl)methyl]-5-hydroxy-2-(3-methylphenyl)-6-oxo-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-chloro-4-fluorophenyl)methyl]-5-hydroxy-2-(3-methylphenyl)-6-oxo-1H-pyrimidine-4-carboxamide
PubChem CID135601938
Molecular FormulaC19H15ClFN3O3
Molecular Weight387.80 g/mol
Exact Mass387.08
IUPAC NameN-[(3-chloro-4-fluorophenyl)methyl]-5-hydroxy-2-(3-methylphenyl)-6-oxo-1H-pyrimidine-4-carboxamide
SMILESCc1cccc(-c2nc(C(=O)NCc3ccc(F)c(Cl)c3)c(O)c(=O)[nH]2)c1
InChIInChI=1S/C19H15ClFN3O3/c1-10-3-2-4-12(7-10)17-23-15(16(25)19(27)24-17)18(26)22-9-11-5-6-14(21)13(20)8-11/h2-8,25H,9H2,1H3,(H,22,26)(H,23,24,27)
InChIKeyLCTJGBSVYPSAFU-UHFFFAOYSA-N
XLogP3.17
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.80
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-5-hydroxy-2-(3-methylphenyl)-6-oxo-1H-pyrimidine-4-carboxamide?
The IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-5-hydroxy-2-(3-methylphenyl)-6-oxo-1H-pyrimidine-4-carboxamide (CID 135601938) is N-[(3-chloro-4-fluorophenyl)methyl]-5-hydroxy-2-(3-methylphenyl)-6-oxo-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for N-[(3-chloro-4-fluorophenyl)methyl]-5-hydroxy-2-(3-methylphenyl)-6-oxo-1H-pyrimidine-4-carboxamide?
The canonical SMILES for N-[(3-chloro-4-fluorophenyl)methyl]-5-hydroxy-2-(3-methylphenyl)-6-oxo-1H-pyrimidine-4-carboxamide is Cc1cccc(-c2nc(C(=O)NCc3ccc(F)c(Cl)c3)c(O)c(=O)[nH]2)c1.
What is the InChIKey of N-[(3-chloro-4-fluorophenyl)methyl]-5-hydroxy-2-(3-methylphenyl)-6-oxo-1H-pyrimidine-4-carboxamide?
The InChIKey is LCTJGBSVYPSAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFN3O3/c1-10-3-2-4-12(7-10)17-23-15(16(25)19(27)24-17)18(26)22-9-11-5-6-14(21)13(20)8-11/h2-8,25H,9H2,1H3,(H,22,26)(H,23,24,27).
What are the key properties of N-[(3-chloro-4-fluorophenyl)methyl]-5-hydroxy-2-(3-methylphenyl)-6-oxo-1H-pyrimidine-4-carboxamide?
N-[(3-chloro-4-fluorophenyl)methyl]-5-hydroxy-2-(3-methylphenyl)-6-oxo-1H-pyrimidine-4-carboxamide has a molecular weight of 387.80 g/mol, XLogP of 3.17, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-fluorophenyl)methyl]-5-hydroxy-2-(3-methylphenyl)-6-oxo-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 135601938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).