N-(3-chloro-2-methylphenyl)-3-(4-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide

C18H13ClFN3O3 — CID 7137439

IUPACN-(3-chloro-2-methylphenyl)-3-(4-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)c1c[nH]c(=O)n(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C18H13ClFN3O3/c1-10-14(19)3-2-4-15(10)22-16(24)13-9-21-18(26)23(17(13)25)12-7-5-11(20)6-8-12/h2-9H,1H3,(H,21,26)(H,22,24)
InChIKeyWTNVPWWYPAOKNQ-UHFFFAOYSA-N
MW373.77 g/mol
LogP2.88
Rot. Bonds3

About N-(3-chloro-2-methylphenyl)-3-(4-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide

N-(3-chloro-2-methylphenyl)-3-(4-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide (PubChem CID 7137439) has the molecular formula C18H13ClFN3O3 and a molecular weight of 373.77 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-3-(4-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-3-(4-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
PubChem CID7137439
Molecular FormulaC18H13ClFN3O3
Molecular Weight373.77 g/mol
Exact Mass373.06
IUPAC NameN-(3-chloro-2-methylphenyl)-3-(4-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)c1c[nH]c(=O)n(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C18H13ClFN3O3/c1-10-14(19)3-2-4-15(10)22-16(24)13-9-21-18(26)23(17(13)25)12-7-5-11(20)6-8-12/h2-9H,1H3,(H,21,26)(H,22,24)
InChIKeyWTNVPWWYPAOKNQ-UHFFFAOYSA-N
XLogP2.88
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.77
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-chloro-4-fluorophenyl)-N-(2-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 7137461
N-(2,3-dimethylphenyl)-3-(4-ethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 4107917
3-(3-chloro-4-fluorophenyl)-N-(2,5-dichlorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 16815260
N-(4-bromophenyl)-3-(4-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 7137416
N-[2-chloro-5-(trifluoromethyl)phenyl]-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide
CID 3473468
N-(2-ethoxyphenyl)-3-(4-ethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 3404438
3-(3,4-dimethylphenyl)-2,4-dioxo-N-[2-(trifluoromethyl)phenyl]-1H-pyrimidine-5-carboxamide
CID 5044705
2-bromo-N-(3-chloro-2-methylphenyl)-4-fluorobenzamide
CID 24699585
N-(2,4-difluorophenyl)-3-(3,4-dimethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 7137494
3-(4-ethoxyphenyl)-N-(2-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 3408404
N-(3,4-dichlorophenyl)-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide
CID 16815209
3-(3,4-dimethylphenyl)-N-(2-ethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 3627249

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-3-(4-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-3-(4-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide (CID 7137439) is N-(3-chloro-2-methylphenyl)-3-(4-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-3-(4-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-3-(4-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide is Cc1c(Cl)cccc1NC(=O)c1c[nH]c(=O)n(-c2ccc(F)cc2)c1=O.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-3-(4-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The InChIKey is WTNVPWWYPAOKNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClFN3O3/c1-10-14(19)3-2-4-15(10)22-16(24)13-9-21-18(26)23(17(13)25)12-7-5-11(20)6-8-12/h2-9H,1H3,(H,21,26)(H,22,24).
What are the key properties of N-(3-chloro-2-methylphenyl)-3-(4-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
N-(3-chloro-2-methylphenyl)-3-(4-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide has a molecular weight of 373.77 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-3-(4-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 7137439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).