N-[[4-(5-bromopyrimidin-2-yl)oxy-3-methylphenyl]carbamoyl]-2-(methylamino)benzamide

C20H18BrN5O3 — CID 10253524

IUPACN-[[4-(5-bromopyrimidin-2-yl)oxy-3-methylphenyl]carbamoyl]-2-(methylamino)benzamide
SMILESCNc1ccccc1C(=O)NC(=O)Nc1ccc(Oc2ncc(Br)cn2)c(C)c1
InChIInChI=1S/C20H18BrN5O3/c1-12-9-14(7-8-17(12)29-20-23-10-13(21)11-24-20)25-19(28)26-18(27)15-5-3-4-6-16(15)22-2/h3-11,22H,1-2H3,(H2,25,26,27,28)
InChIKeyQPXHZBJIVOTXDI-UHFFFAOYSA-N
MW456.30 g/mol
LogP4.34
Rot. Bonds5

About N-[[4-(5-bromopyrimidin-2-yl)oxy-3-methylphenyl]carbamoyl]-2-(methylamino)benzamide

N-[[4-(5-bromopyrimidin-2-yl)oxy-3-methylphenyl]carbamoyl]-2-(methylamino)benzamide (PubChem CID 10253524) has the molecular formula C20H18BrN5O3 and a molecular weight of 456.30 g/mol. Its IUPAC name is N-[[4-(5-bromopyrimidin-2-yl)oxy-3-methylphenyl]carbamoyl]-2-(methylamino)benzamide.

Molecular Properties

Compound NameN-[[4-(5-bromopyrimidin-2-yl)oxy-3-methylphenyl]carbamoyl]-2-(methylamino)benzamide
PubChem CID10253524
Molecular FormulaC20H18BrN5O3
Molecular Weight456.30 g/mol
Exact Mass455.06
IUPAC NameN-[[4-(5-bromopyrimidin-2-yl)oxy-3-methylphenyl]carbamoyl]-2-(methylamino)benzamide
SMILESCNc1ccccc1C(=O)NC(=O)Nc1ccc(Oc2ncc(Br)cn2)c(C)c1
InChIInChI=1S/C20H18BrN5O3/c1-12-9-14(7-8-17(12)29-20-23-10-13(21)11-24-20)25-19(28)26-18(27)15-5-3-4-6-16(15)22-2/h3-11,22H,1-2H3,(H2,25,26,27,28)
InChIKeyQPXHZBJIVOTXDI-UHFFFAOYSA-N
XLogP4.34
TPSA105.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.30
LogP ≤ 54.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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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
Nicotinamide, N-benzyl-2-(p-methoxyanilino)-
CID 1440879
Benzamide, N-(((4-((5-chloro-2-pyrimidinyl)oxy)-3-(trifluoromethyl)phenyl)amino)carbonyl)-2-nitro-
CID 361500
N-[[5-(3-phenylprop-2-ynoylamino)-2-propoxyphenyl]methyl]-4-pyrimidin-2-ylbenzamide
CID 117979460
2-amino-N-[[4-(5-bromopyrimidin-2-yl)oxy-3-chlorophenyl]carbamoyl]benzamide
CID 368696
Glycylaminophenylbenzoylurea (HCl salt)
CID 375119
2-[(4-methoxyphenyl)amino]-7-methyl-7,8-dihydroquinazolin-5(6H)-one
CID 3773077
2-(4-methoxyphenylamino)-4-trifluoromethyl-pyrimidine-5-carboxylic acid, N-benzylamide
CID 10250508
2-amino-N-[[4-(5-bromopyrimidin-2-yl)oxyphenyl]carbamoyl]benzamide
CID 11611653
N-[[4-(5-bromopyrimidin-2-yl)oxyphenyl]carbamoyl]-2-nitrobenzamide
CID 11719515
N-(3-Methyl-4-(3-(2-(methylamino)pyrimidin-4-yl)pyridin-2-yloxy)phenyl)-2-phenoxybenzamide
CID 46929643

Frequently Asked Questions

What is the IUPAC name of N-[[4-(5-bromopyrimidin-2-yl)oxy-3-methylphenyl]carbamoyl]-2-(methylamino)benzamide?
The IUPAC name of N-[[4-(5-bromopyrimidin-2-yl)oxy-3-methylphenyl]carbamoyl]-2-(methylamino)benzamide (CID 10253524) is N-[[4-(5-bromopyrimidin-2-yl)oxy-3-methylphenyl]carbamoyl]-2-(methylamino)benzamide.
What is the SMILES notation for N-[[4-(5-bromopyrimidin-2-yl)oxy-3-methylphenyl]carbamoyl]-2-(methylamino)benzamide?
The canonical SMILES for N-[[4-(5-bromopyrimidin-2-yl)oxy-3-methylphenyl]carbamoyl]-2-(methylamino)benzamide is CNc1ccccc1C(=O)NC(=O)Nc1ccc(Oc2ncc(Br)cn2)c(C)c1.
What is the InChIKey of N-[[4-(5-bromopyrimidin-2-yl)oxy-3-methylphenyl]carbamoyl]-2-(methylamino)benzamide?
The InChIKey is QPXHZBJIVOTXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrN5O3/c1-12-9-14(7-8-17(12)29-20-23-10-13(21)11-24-20)25-19(28)26-18(27)15-5-3-4-6-16(15)22-2/h3-11,22H,1-2H3,(H2,25,26,27,28).
What are the key properties of N-[[4-(5-bromopyrimidin-2-yl)oxy-3-methylphenyl]carbamoyl]-2-(methylamino)benzamide?
N-[[4-(5-bromopyrimidin-2-yl)oxy-3-methylphenyl]carbamoyl]-2-(methylamino)benzamide has a molecular weight of 456.30 g/mol, XLogP of 4.34, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(5-bromopyrimidin-2-yl)oxy-3-methylphenyl]carbamoyl]-2-(methylamino)benzamide is sourced from PubChem (CID 10253524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).