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

C18H14BrN5O3 — CID 11611653

IUPAC2-amino-N-[[4-(5-bromopyrimidin-2-yl)oxyphenyl]carbamoyl]benzamide
SMILESNc1ccccc1C(=O)NC(=O)Nc1ccc(Oc2ncc(Br)cn2)cc1
InChIInChI=1S/C18H14BrN5O3/c19-11-9-21-18(22-10-11)27-13-7-5-12(6-8-13)23-17(26)24-16(25)14-3-1-2-4-15(14)20/h1-10H,20H2,(H2,23,24,25,26)
InChIKeyDGMOUXDGHPRDLL-UHFFFAOYSA-N
MW428.25 g/mol
LogP3.58
Rot. Bonds4

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

2-amino-N-[[4-(5-bromopyrimidin-2-yl)oxyphenyl]carbamoyl]benzamide (PubChem CID 11611653) has the molecular formula C18H14BrN5O3 and a molecular weight of 428.25 g/mol. Its IUPAC name is 2-amino-N-[[4-(5-bromopyrimidin-2-yl)oxyphenyl]carbamoyl]benzamide.

Molecular Properties

Compound Name2-amino-N-[[4-(5-bromopyrimidin-2-yl)oxyphenyl]carbamoyl]benzamide
PubChem CID11611653
Molecular FormulaC18H14BrN5O3
Molecular Weight428.25 g/mol
Exact Mass427.03
IUPAC Name2-amino-N-[[4-(5-bromopyrimidin-2-yl)oxyphenyl]carbamoyl]benzamide
SMILESNc1ccccc1C(=O)NC(=O)Nc1ccc(Oc2ncc(Br)cn2)cc1
InChIInChI=1S/C18H14BrN5O3/c19-11-9-21-18(22-10-11)27-13-7-5-12(6-8-13)23-17(26)24-16(25)14-3-1-2-4-15(14)20/h1-10H,20H2,(H2,23,24,25,26)
InChIKeyDGMOUXDGHPRDLL-UHFFFAOYSA-N
XLogP3.58
TPSA119.23 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.25
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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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
4-({5-Bromo-4-[(4-methoxyphenyl)amino]pyrimidin-2-yl}amino)benzoic acid
CID 10321590
2-[(2-Phenoxypyrimidin-4-yl)amino]benzoic acid
CID 23647245
Nicotinamide, N-benzyl-2-(p-methoxyanilino)-
CID 1440879
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-[(4-methoxybenzoyl)amino]-N-(2-pyridinyl)benzamide
CID 759561
3-pyridinecarboxamide, 2-[(4-methoxyphenyl)amino]-N-phenyl-
CID 713015
2-amino-N-[[4-(5-bromopyrimidin-2-yl)oxy-3-chlorophenyl]carbamoyl]benzamide
CID 368696
Glycylaminophenylbenzoylurea (HCl salt)
CID 375119

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[4-(5-bromopyrimidin-2-yl)oxyphenyl]carbamoyl]benzamide?
The IUPAC name of 2-amino-N-[[4-(5-bromopyrimidin-2-yl)oxyphenyl]carbamoyl]benzamide (CID 11611653) is 2-amino-N-[[4-(5-bromopyrimidin-2-yl)oxyphenyl]carbamoyl]benzamide.
What is the SMILES notation for 2-amino-N-[[4-(5-bromopyrimidin-2-yl)oxyphenyl]carbamoyl]benzamide?
The canonical SMILES for 2-amino-N-[[4-(5-bromopyrimidin-2-yl)oxyphenyl]carbamoyl]benzamide is Nc1ccccc1C(=O)NC(=O)Nc1ccc(Oc2ncc(Br)cn2)cc1.
What is the InChIKey of 2-amino-N-[[4-(5-bromopyrimidin-2-yl)oxyphenyl]carbamoyl]benzamide?
The InChIKey is DGMOUXDGHPRDLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrN5O3/c19-11-9-21-18(22-10-11)27-13-7-5-12(6-8-13)23-17(26)24-16(25)14-3-1-2-4-15(14)20/h1-10H,20H2,(H2,23,24,25,26).
What are the key properties of 2-amino-N-[[4-(5-bromopyrimidin-2-yl)oxyphenyl]carbamoyl]benzamide?
2-amino-N-[[4-(5-bromopyrimidin-2-yl)oxyphenyl]carbamoyl]benzamide has a molecular weight of 428.25 g/mol, XLogP of 3.58, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[4-(5-bromopyrimidin-2-yl)oxyphenyl]carbamoyl]benzamide is sourced from PubChem (CID 11611653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).