1-(5-chloro-2-methylphenyl)-6-hydroxy-2,4-dioxo-N-phenylpyrimidine-5-carboxamide

C18H14ClN3O4 — CID 66522839

IUPAC1-(5-chloro-2-methylphenyl)-6-hydroxy-2,4-dioxo-N-phenylpyrimidine-5-carboxamide
SMILESCc1ccc(Cl)cc1-n1c(O)c(C(=O)Nc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C18H14ClN3O4/c1-10-7-8-11(19)9-13(10)22-17(25)14(16(24)21-18(22)26)15(23)20-12-5-3-2-4-6-12/h2-9,25H,1H3,(H,20,23)(H,21,24,26)
InChIKeyOLABQJGTMAEHMV-UHFFFAOYSA-N
MW371.78 g/mol
LogP2.45
Rot. Bonds3

About 1-(5-chloro-2-methylphenyl)-6-hydroxy-2,4-dioxo-N-phenylpyrimidine-5-carboxamide

1-(5-chloro-2-methylphenyl)-6-hydroxy-2,4-dioxo-N-phenylpyrimidine-5-carboxamide (PubChem CID 66522839) has the molecular formula C18H14ClN3O4 and a molecular weight of 371.78 g/mol. Its IUPAC name is 1-(5-chloro-2-methylphenyl)-6-hydroxy-2,4-dioxo-N-phenylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name1-(5-chloro-2-methylphenyl)-6-hydroxy-2,4-dioxo-N-phenylpyrimidine-5-carboxamide
PubChem CID66522839
Molecular FormulaC18H14ClN3O4
Molecular Weight371.78 g/mol
Exact Mass371.07
IUPAC Name1-(5-chloro-2-methylphenyl)-6-hydroxy-2,4-dioxo-N-phenylpyrimidine-5-carboxamide
SMILESCc1ccc(Cl)cc1-n1c(O)c(C(=O)Nc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C18H14ClN3O4/c1-10-7-8-11(19)9-13(10)22-17(25)14(16(24)21-18(22)26)15(23)20-12-5-3-2-4-6-12/h2-9,25H,1H3,(H,20,23)(H,21,24,26)
InChIKeyOLABQJGTMAEHMV-UHFFFAOYSA-N
XLogP2.45
TPSA104.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.78
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-chloro-4-methylphenyl)-6-hydroxy-2,4-dioxo-N-phenylpyrimidine-5-carboxamide
CID 66522838
1-(2,3-dimethylphenyl)-6-hydroxy-2,4-dioxo-N-phenylpyrimidine-5-carboxamide
CID 66522750
6-hydroxy-2,4-dioxo-N-phenyl-1-(2,4,6-trimethylphenyl)pyrimidine-5-carboxamide
CID 66522790
1-(3-bromophenyl)-6-hydroxy-2,4-dioxo-N-phenylpyrimidine-5-carboxamide
CID 66522731
5-(N-anilino-C-methylcarbonimidoyl)-6-hydroxy-1-(2-methylphenyl)pyrimidine-2,4-dione
CID 3722604
6-hydroxy-1-(2-methylphenyl)-N'-[(3-methylphenyl)methyl]-2,4-dioxo-N-phenylpyrimidine-5-carboximidamide
CID 2721836
1-[(E)-1-[1-(4-chlorophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]propylideneamino]-3-phenylurea
CID 135822059
1-[(E)-1-[6-hydroxy-1-(2-methylphenyl)-2,4-dioxopyrimidin-5-yl]propylideneamino]-3-phenylthiourea
CID 135606334
3-(5-chloro-2-methylphenyl)-2-oxo-1H-benzimidazole-5-carboxylic acid
CID 82770175
1-(5-chloro-2-methylphenyl)-6-hydroxy-5-(pyrrol-2-ylidenemethyl)pyrimidine-2,4-dione
CID 1398199
1-(5-chloro-2-methylphenyl)-6-hydroxy-5-[(Z)-pyrrol-2-ylidenemethyl]pyrimidine-2,4-dione
CID 137229454
N-(3-chlorophenyl)-4-methyl-2-oxo-1H-quinoline-3-carboxamide
CID 24948900

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methylphenyl)-6-hydroxy-2,4-dioxo-N-phenylpyrimidine-5-carboxamide?
The IUPAC name of 1-(5-chloro-2-methylphenyl)-6-hydroxy-2,4-dioxo-N-phenylpyrimidine-5-carboxamide (CID 66522839) is 1-(5-chloro-2-methylphenyl)-6-hydroxy-2,4-dioxo-N-phenylpyrimidine-5-carboxamide.
What is the SMILES notation for 1-(5-chloro-2-methylphenyl)-6-hydroxy-2,4-dioxo-N-phenylpyrimidine-5-carboxamide?
The canonical SMILES for 1-(5-chloro-2-methylphenyl)-6-hydroxy-2,4-dioxo-N-phenylpyrimidine-5-carboxamide is Cc1ccc(Cl)cc1-n1c(O)c(C(=O)Nc2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of 1-(5-chloro-2-methylphenyl)-6-hydroxy-2,4-dioxo-N-phenylpyrimidine-5-carboxamide?
The InChIKey is OLABQJGTMAEHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O4/c1-10-7-8-11(19)9-13(10)22-17(25)14(16(24)21-18(22)26)15(23)20-12-5-3-2-4-6-12/h2-9,25H,1H3,(H,20,23)(H,21,24,26).
What are the key properties of 1-(5-chloro-2-methylphenyl)-6-hydroxy-2,4-dioxo-N-phenylpyrimidine-5-carboxamide?
1-(5-chloro-2-methylphenyl)-6-hydroxy-2,4-dioxo-N-phenylpyrimidine-5-carboxamide has a molecular weight of 371.78 g/mol, XLogP of 2.45, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methylphenyl)-6-hydroxy-2,4-dioxo-N-phenylpyrimidine-5-carboxamide is sourced from PubChem (CID 66522839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).