N-[[4-(5-bromopyrimidin-2-yl)oxyphenyl]carbamoyl]-2-nitrobenzamide

C18H12BrN5O5 — CID 11719515

IUPACN-[[4-(5-bromopyrimidin-2-yl)oxyphenyl]carbamoyl]-2-nitrobenzamide
SMILESO=C(NC(=O)c1ccccc1[N+](=O)[O-])Nc1ccc(Oc2ncc(Br)cn2)cc1
InChIInChI=1S/C18H12BrN5O5/c19-11-9-20-18(21-10-11)29-13-7-5-12(6-8-13)22-17(26)23-16(25)14-3-1-2-4-15(14)24(27)28/h1-10H,(H2,22,23,25,26)
InChIKeyDBZDJFZSRGZROL-UHFFFAOYSA-N
MW458.23 g/mol
LogP3.90
Rot. Bonds5

About N-[[4-(5-bromopyrimidin-2-yl)oxyphenyl]carbamoyl]-2-nitrobenzamide

N-[[4-(5-bromopyrimidin-2-yl)oxyphenyl]carbamoyl]-2-nitrobenzamide (PubChem CID 11719515) has the molecular formula C18H12BrN5O5 and a molecular weight of 458.23 g/mol. Its IUPAC name is N-[[4-(5-bromopyrimidin-2-yl)oxyphenyl]carbamoyl]-2-nitrobenzamide.

Molecular Properties

Compound NameN-[[4-(5-bromopyrimidin-2-yl)oxyphenyl]carbamoyl]-2-nitrobenzamide
PubChem CID11719515
Molecular FormulaC18H12BrN5O5
Molecular Weight458.23 g/mol
Exact Mass457.00
IUPAC NameN-[[4-(5-bromopyrimidin-2-yl)oxyphenyl]carbamoyl]-2-nitrobenzamide
SMILESO=C(NC(=O)c1ccccc1[N+](=O)[O-])Nc1ccc(Oc2ncc(Br)cn2)cc1
InChIInChI=1S/C18H12BrN5O5/c19-11-9-20-18(21-10-11)29-13-7-5-12(6-8-13)22-17(26)23-16(25)14-3-1-2-4-15(14)24(27)28/h1-10H,(H2,22,23,25,26)
InChIKeyDBZDJFZSRGZROL-UHFFFAOYSA-N
XLogP3.90
TPSA136.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.23
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[[4-(5-bromopyrimidin-2-yl)oxyphenyl]carbamoyl]-2-nitrobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(((4-((5-Bromo-2-pyrimidinyl)oxy)-3-methylphenyl)amino)carbonyl)-2-(dimethylamino)benzamide
CID 368697
N-(((4-((5-Bromo-2-pyrimidinyl)oxy)-3-chlorophenyl)amino)carbonyl)-2-nitrobenzamide
CID 128803
Benzamide, N-(((4-((5-chloro-2-pyrimidinyl)oxy)-3-nitrophenyl)amino)carbonyl)-2-nitro-
CID 361311
Benzamide, N-(((4-((5-chloro-2-pyrimidinyl)oxy)-3-(trifluoromethyl)phenyl)amino)carbonyl)-2-nitro-
CID 361500
N-[[4-(5-bromopyrimidin-2-yl)oxy-3-methylphenyl]carbamoyl]-2-(methylamino)benzamide
CID 10253524
2-amino-N-[[4-(5-bromopyrimidin-2-yl)oxy-3-chlorophenyl]carbamoyl]benzamide
CID 368696
Glycylaminophenylbenzoylurea (HCl salt)
CID 375119
2-amino-N-[[4-(5-bromopyrimidin-2-yl)oxyphenyl]carbamoyl]benzamide
CID 11611653
N-[5-[(3-methoxybenzoyl)amino]-2-methylphenyl]-4-(methylamino)-2-(4-methyl-3-nitroanilino)pyrimidine-5-carboxamide
CID 122633854
L-alanylaminophenylbenzoylurea
CID 375121
Dmg amino bpu
CID 375123
4-methyl-3-[[(E)-3-pyrimidin-5-ylprop-2-enoyl]amino]-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 49803647

Frequently Asked Questions

What is the IUPAC name of N-[[4-(5-bromopyrimidin-2-yl)oxyphenyl]carbamoyl]-2-nitrobenzamide?
The IUPAC name of N-[[4-(5-bromopyrimidin-2-yl)oxyphenyl]carbamoyl]-2-nitrobenzamide (CID 11719515) is N-[[4-(5-bromopyrimidin-2-yl)oxyphenyl]carbamoyl]-2-nitrobenzamide.
What is the SMILES notation for N-[[4-(5-bromopyrimidin-2-yl)oxyphenyl]carbamoyl]-2-nitrobenzamide?
The canonical SMILES for N-[[4-(5-bromopyrimidin-2-yl)oxyphenyl]carbamoyl]-2-nitrobenzamide is O=C(NC(=O)c1ccccc1[N+](=O)[O-])Nc1ccc(Oc2ncc(Br)cn2)cc1.
What is the InChIKey of N-[[4-(5-bromopyrimidin-2-yl)oxyphenyl]carbamoyl]-2-nitrobenzamide?
The InChIKey is DBZDJFZSRGZROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrN5O5/c19-11-9-20-18(21-10-11)29-13-7-5-12(6-8-13)22-17(26)23-16(25)14-3-1-2-4-15(14)24(27)28/h1-10H,(H2,22,23,25,26).
What are the key properties of N-[[4-(5-bromopyrimidin-2-yl)oxyphenyl]carbamoyl]-2-nitrobenzamide?
N-[[4-(5-bromopyrimidin-2-yl)oxyphenyl]carbamoyl]-2-nitrobenzamide has a molecular weight of 458.23 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(5-bromopyrimidin-2-yl)oxyphenyl]carbamoyl]-2-nitrobenzamide is sourced from PubChem (CID 11719515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).