N-[(4,6-dimethylpyrimidin-2-yl)carbamoyl]-2-fluoro-6-nitrobenzamide

C14H12FN5O4 — CID 134099946

IUPACN-[(4,6-dimethylpyrimidin-2-yl)carbamoyl]-2-fluoro-6-nitrobenzamide
SMILESCc1cc(C)nc(NC(=O)NC(=O)c2c(F)cccc2[N+](=O)[O-])n1
InChIInChI=1S/C14H12FN5O4/c1-7-6-8(2)17-13(16-7)19-14(22)18-12(21)11-9(15)4-3-5-10(11)20(23)24/h3-6H,1-2H3,(H2,16,17,18,19,21,22)
InChIKeyDOUMPNSHAKSLJN-UHFFFAOYSA-N
MW333.28 g/mol
LogP2.10
Rot. Bonds3

About N-[(4,6-dimethylpyrimidin-2-yl)carbamoyl]-2-fluoro-6-nitrobenzamide

N-[(4,6-dimethylpyrimidin-2-yl)carbamoyl]-2-fluoro-6-nitrobenzamide (PubChem CID 134099946) has the molecular formula C14H12FN5O4 and a molecular weight of 333.28 g/mol. Its IUPAC name is N-[(4,6-dimethylpyrimidin-2-yl)carbamoyl]-2-fluoro-6-nitrobenzamide.

Molecular Properties

Compound NameN-[(4,6-dimethylpyrimidin-2-yl)carbamoyl]-2-fluoro-6-nitrobenzamide
PubChem CID134099946
Molecular FormulaC14H12FN5O4
Molecular Weight333.28 g/mol
Exact Mass333.09
IUPAC NameN-[(4,6-dimethylpyrimidin-2-yl)carbamoyl]-2-fluoro-6-nitrobenzamide
SMILESCc1cc(C)nc(NC(=O)NC(=O)c2c(F)cccc2[N+](=O)[O-])n1
InChIInChI=1S/C14H12FN5O4/c1-7-6-8(2)17-13(16-7)19-14(22)18-12(21)11-9(15)4-3-5-10(11)20(23)24/h3-6H,1-2H3,(H2,16,17,18,19,21,22)
InChIKeyDOUMPNSHAKSLJN-UHFFFAOYSA-N
XLogP2.10
TPSA127.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.28
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4,6-dimethylpyrimidin-2-yl)-2,6-difluorobenzamide
CID 3309967
N-cyclohexa-1,5-dien-1-yl-2-fluoro-6-nitrobenzamide
CID 145019670
N-(4,6-dimethylpyrimidin-2-yl)-2,6-dihydroxybenzamide
CID 107688990
2-fluoro-6-nitrobenzoic acid
CID 603758
N-(4,6-dimethylpyrimidin-2-yl)-5-hydroxy-2-nitrobenzamide
CID 102740712
1-(4-chloro-6-methylpyrimidin-2-yl)-3-(2-nitrophenyl)sulfonylurea
CID 19864749
N-(4-chloro-6-methylpyrimidin-2-yl)-2-fluoro-6-hydroxybenzamide
CID 114053411
N-(2-fluoro-6-nitrophenyl)-5-methyl-1H-1,2,4-triazole-3-carboxamide
CID 81311222
2-chloro-N-(6-chloro-3-nitro-2-pyridinyl)-6-fluorobenzamide
CID 104820349
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(2-nitrophenyl)benzamide
CID 108796487
N'-(3-cyanophenyl)-2-fluoro-6-nitrobenzohydrazide
CID 141459073
ethyl 3-(2-fluoro-6-nitrophenyl)-3-oxopropanoate
CID 162356660

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethylpyrimidin-2-yl)carbamoyl]-2-fluoro-6-nitrobenzamide?
The IUPAC name of N-[(4,6-dimethylpyrimidin-2-yl)carbamoyl]-2-fluoro-6-nitrobenzamide (CID 134099946) is N-[(4,6-dimethylpyrimidin-2-yl)carbamoyl]-2-fluoro-6-nitrobenzamide.
What is the SMILES notation for N-[(4,6-dimethylpyrimidin-2-yl)carbamoyl]-2-fluoro-6-nitrobenzamide?
The canonical SMILES for N-[(4,6-dimethylpyrimidin-2-yl)carbamoyl]-2-fluoro-6-nitrobenzamide is Cc1cc(C)nc(NC(=O)NC(=O)c2c(F)cccc2[N+](=O)[O-])n1.
What is the InChIKey of N-[(4,6-dimethylpyrimidin-2-yl)carbamoyl]-2-fluoro-6-nitrobenzamide?
The InChIKey is DOUMPNSHAKSLJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN5O4/c1-7-6-8(2)17-13(16-7)19-14(22)18-12(21)11-9(15)4-3-5-10(11)20(23)24/h3-6H,1-2H3,(H2,16,17,18,19,21,22).
What are the key properties of N-[(4,6-dimethylpyrimidin-2-yl)carbamoyl]-2-fluoro-6-nitrobenzamide?
N-[(4,6-dimethylpyrimidin-2-yl)carbamoyl]-2-fluoro-6-nitrobenzamide has a molecular weight of 333.28 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethylpyrimidin-2-yl)carbamoyl]-2-fluoro-6-nitrobenzamide is sourced from PubChem (CID 134099946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).