4-[(2-bromophenoxy)methyl]-N-(4-carbamoylphenyl)benzamide

C21H17BrN2O3 — CID 4617873

IUPAC4-[(2-bromophenoxy)methyl]-N-(4-carbamoylphenyl)benzamide
SMILESNC(=O)c1ccc(NC(=O)c2ccc(COc3ccccc3Br)cc2)cc1
InChIInChI=1S/C21H17BrN2O3/c22-18-3-1-2-4-19(18)27-13-14-5-7-16(8-6-14)21(26)24-17-11-9-15(10-12-17)20(23)25/h1-12H,13H2,(H2,23,25)(H,24,26)
InChIKeyUUYCGDZLFXEELK-UHFFFAOYSA-N
MW425.28 g/mol
LogP4.38
Rot. Bonds6

About 4-[(2-bromophenoxy)methyl]-N-(4-carbamoylphenyl)benzamide

4-[(2-bromophenoxy)methyl]-N-(4-carbamoylphenyl)benzamide (PubChem CID 4617873) has the molecular formula C21H17BrN2O3 and a molecular weight of 425.28 g/mol. Its IUPAC name is 4-[(2-bromophenoxy)methyl]-N-(4-carbamoylphenyl)benzamide.

Molecular Properties

Compound Name4-[(2-bromophenoxy)methyl]-N-(4-carbamoylphenyl)benzamide
PubChem CID4617873
Molecular FormulaC21H17BrN2O3
Molecular Weight425.28 g/mol
Exact Mass424.04
IUPAC Name4-[(2-bromophenoxy)methyl]-N-(4-carbamoylphenyl)benzamide
SMILESNC(=O)c1ccc(NC(=O)c2ccc(COc3ccccc3Br)cc2)cc1
InChIInChI=1S/C21H17BrN2O3/c22-18-3-1-2-4-19(18)27-13-14-5-7-16(8-6-14)21(26)24-17-11-9-15(10-12-17)20(23)25/h1-12H,13H2,(H2,23,25)(H,24,26)
InChIKeyUUYCGDZLFXEELK-UHFFFAOYSA-N
XLogP4.38
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.28
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[4-[(2-bromophenoxy)methyl]benzoyl]amino]-1-methylpyrazole-3-carboxamide
CID 4766875
4-[(2-bromophenoxy)methyl]-N-(6-methyl-2-pyridinyl)benzamide
CID 1039541
1-N,4-N-bis(4-carbamoylphenyl)benzene-1,4-dicarboxamide
CID 1272826
N'-[4-[(2-bromophenoxy)methyl]benzoyl]-2-fluorobenzohydrazide
CID 17387628
4-[(2-bromophenoxy)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]benzamide
CID 19400049
4-[(2-bromophenoxy)methyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
CID 19393367
4-[(2-bromo-4-fluorophenoxy)methyl]benzamide
CID 24526653
N-(3,4-dimethylphenyl)-4-[(2-methoxyphenoxy)methyl]benzamide
CID 126186357
4-[(2-bromophenoxy)methyl]-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]benzamide
CID 19397626
4-[(2-bromophenoxy)methyl]-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]benzamide
CID 19395461
N-[4-(phenoxymethyl)phenyl]benzamide
CID 141092226
4-[(2-bromophenoxy)methyl]-N-[1-[4-(cyclopentanecarbonylamino)phenyl]ethylideneamino]benzamide
CID 3698670

Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromophenoxy)methyl]-N-(4-carbamoylphenyl)benzamide?
The IUPAC name of 4-[(2-bromophenoxy)methyl]-N-(4-carbamoylphenyl)benzamide (CID 4617873) is 4-[(2-bromophenoxy)methyl]-N-(4-carbamoylphenyl)benzamide.
What is the SMILES notation for 4-[(2-bromophenoxy)methyl]-N-(4-carbamoylphenyl)benzamide?
The canonical SMILES for 4-[(2-bromophenoxy)methyl]-N-(4-carbamoylphenyl)benzamide is NC(=O)c1ccc(NC(=O)c2ccc(COc3ccccc3Br)cc2)cc1.
What is the InChIKey of 4-[(2-bromophenoxy)methyl]-N-(4-carbamoylphenyl)benzamide?
The InChIKey is UUYCGDZLFXEELK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17BrN2O3/c22-18-3-1-2-4-19(18)27-13-14-5-7-16(8-6-14)21(26)24-17-11-9-15(10-12-17)20(23)25/h1-12H,13H2,(H2,23,25)(H,24,26).
What are the key properties of 4-[(2-bromophenoxy)methyl]-N-(4-carbamoylphenyl)benzamide?
4-[(2-bromophenoxy)methyl]-N-(4-carbamoylphenyl)benzamide has a molecular weight of 425.28 g/mol, XLogP of 4.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromophenoxy)methyl]-N-(4-carbamoylphenyl)benzamide is sourced from PubChem (CID 4617873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).