2-bromo-5-methoxy-N-[4-(propan-2-ylcarbamoyl)phenyl]benzamide

C18H19BrN2O3 — CID 55865424

IUPAC2-bromo-5-methoxy-N-[4-(propan-2-ylcarbamoyl)phenyl]benzamide
SMILESCOc1ccc(Br)c(C(=O)Nc2ccc(C(=O)NC(C)C)cc2)c1
InChIInChI=1S/C18H19BrN2O3/c1-11(2)20-17(22)12-4-6-13(7-5-12)21-18(23)15-10-14(24-3)8-9-16(15)19/h4-11H,1-3H3,(H,20,22)(H,21,23)
InChIKeyWUCSOAYYTWAGHN-UHFFFAOYSA-N
MW391.27 g/mol
LogP3.85
Rot. Bonds5

About 2-bromo-5-methoxy-N-[4-(propan-2-ylcarbamoyl)phenyl]benzamide

2-bromo-5-methoxy-N-[4-(propan-2-ylcarbamoyl)phenyl]benzamide (PubChem CID 55865424) has the molecular formula C18H19BrN2O3 and a molecular weight of 391.27 g/mol. Its IUPAC name is 2-bromo-5-methoxy-N-[4-(propan-2-ylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name2-bromo-5-methoxy-N-[4-(propan-2-ylcarbamoyl)phenyl]benzamide
PubChem CID55865424
Molecular FormulaC18H19BrN2O3
Molecular Weight391.27 g/mol
Exact Mass390.06
IUPAC Name2-bromo-5-methoxy-N-[4-(propan-2-ylcarbamoyl)phenyl]benzamide
SMILESCOc1ccc(Br)c(C(=O)Nc2ccc(C(=O)NC(C)C)cc2)c1
InChIInChI=1S/C18H19BrN2O3/c1-11(2)20-17(22)12-4-6-13(7-5-12)21-18(23)15-10-14(24-3)8-9-16(15)19/h4-11H,1-3H3,(H,20,22)(H,21,23)
InChIKeyWUCSOAYYTWAGHN-UHFFFAOYSA-N
XLogP3.85
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.27
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-5-methoxy-N-(4-propan-2-yloxyphenyl)benzamide
CID 55749089
2-bromo-N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-5-methoxybenzamide
CID 112789539
2-bromo-5-methoxy-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 26522460
2-bromo-N-[4-(cyclopropanecarbonylamino)phenyl]-5-methoxybenzamide
CID 42470780
2,4,5-trimethoxy-N-[4-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 131950606
2-bromo-N-(4-methoxyphenyl)-5-sulfanylbenzamide
CID 107019316
2-bromo-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 3704326
2-bromo-N-[4-(cyanomethoxy)phenyl]-5-methoxybenzamide
CID 30873503
2-bromo-5-methoxy-N-pyrimidin-5-ylbenzamide
CID 104856860
2-bromo-N-(3-fluoro-4-hydroxyphenyl)-5-methoxybenzamide
CID 64781077
2-bromo-5-methoxy-N-(6-methoxy-3-pyridinyl)benzamide
CID 27645934
4-[(3-methoxyphenyl)carbamoylamino]-N-propan-2-ylbenzamide
CID 17180581

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-methoxy-N-[4-(propan-2-ylcarbamoyl)phenyl]benzamide?
The IUPAC name of 2-bromo-5-methoxy-N-[4-(propan-2-ylcarbamoyl)phenyl]benzamide (CID 55865424) is 2-bromo-5-methoxy-N-[4-(propan-2-ylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for 2-bromo-5-methoxy-N-[4-(propan-2-ylcarbamoyl)phenyl]benzamide?
The canonical SMILES for 2-bromo-5-methoxy-N-[4-(propan-2-ylcarbamoyl)phenyl]benzamide is COc1ccc(Br)c(C(=O)Nc2ccc(C(=O)NC(C)C)cc2)c1.
What is the InChIKey of 2-bromo-5-methoxy-N-[4-(propan-2-ylcarbamoyl)phenyl]benzamide?
The InChIKey is WUCSOAYYTWAGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O3/c1-11(2)20-17(22)12-4-6-13(7-5-12)21-18(23)15-10-14(24-3)8-9-16(15)19/h4-11H,1-3H3,(H,20,22)(H,21,23).
What are the key properties of 2-bromo-5-methoxy-N-[4-(propan-2-ylcarbamoyl)phenyl]benzamide?
2-bromo-5-methoxy-N-[4-(propan-2-ylcarbamoyl)phenyl]benzamide has a molecular weight of 391.27 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-methoxy-N-[4-(propan-2-ylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 55865424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).