N-(1-bicyclo[1.1.1]pentanyl)-4-bromo-3-phenylmethoxybenzamide

C19H18BrNO2 — CID 166001387

IUPACN-(1-bicyclo[1.1.1]pentanyl)-4-bromo-3-phenylmethoxybenzamide
SMILESO=C(NC12CC(C1)C2)c1ccc(Br)c(OCc2ccccc2)c1
InChIInChI=1S/C19H18BrNO2/c20-16-7-6-15(18(22)21-19-9-14(10-19)11-19)8-17(16)23-12-13-4-2-1-3-5-13/h1-8,14H,9-12H2,(H,21,22)
InChIKeyONZYCPLTDUDHLD-UHFFFAOYSA-N
MW372.26 g/mol
LogP4.31
Rot. Bonds5

About N-(1-bicyclo[1.1.1]pentanyl)-4-bromo-3-phenylmethoxybenzamide

N-(1-bicyclo[1.1.1]pentanyl)-4-bromo-3-phenylmethoxybenzamide (PubChem CID 166001387) has the molecular formula C19H18BrNO2 and a molecular weight of 372.26 g/mol. Its IUPAC name is N-(1-bicyclo[1.1.1]pentanyl)-4-bromo-3-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-(1-bicyclo[1.1.1]pentanyl)-4-bromo-3-phenylmethoxybenzamide
PubChem CID166001387
Molecular FormulaC19H18BrNO2
Molecular Weight372.26 g/mol
Exact Mass371.05
IUPAC NameN-(1-bicyclo[1.1.1]pentanyl)-4-bromo-3-phenylmethoxybenzamide
SMILESO=C(NC12CC(C1)C2)c1ccc(Br)c(OCc2ccccc2)c1
InChIInChI=1S/C19H18BrNO2/c20-16-7-6-15(18(22)21-19-9-14(10-19)11-19)8-17(16)23-12-13-4-2-1-3-5-13/h1-8,14H,9-12H2,(H,21,22)
InChIKeyONZYCPLTDUDHLD-UHFFFAOYSA-N
XLogP4.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.26
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(1-bicyclo[1.1.1]pentanyl)-4-bromo-3-phenylmethoxybenzamide 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

4-bromo-3-phenylmethoxy-N-propan-2-ylbenzamide
CID 146673288
3-bromo-4-phenylmethoxybenzohydrazide
CID 54793170
1-(3-bromo-4-phenylmethoxyphenyl)propan-1-one
CID 177405954
N-(1-adamantylcarbamothioyl)-3-phenylmethoxybenzamide
CID 4631773
N-(1-adamantyl)-4-bromo-3-chlorobenzamide
CID 81295141
1-[(4-bromo-3-phenylmethoxyphenyl)methyl]cyclobutane-1-carboxylic acid
CID 135313696
methyl 3-bromo-4-phenylmethoxybenzoate
CID 23111814
4-(1-bicyclo[1.1.1]pentanylcarbamoyl)benzoic acid
CID 178070536
1-bromo-4-iodo-2-phenylmethoxybenzene
CID 11516618
N-(2-bromophenyl)-3-methoxy-4-phenylmethoxybenzamide
CID 1288452
[2-(3-bromo-4-phenylmethoxyphenyl)-1-tert-butylcyclopropyl]carbamic acid
CID 70944871
4-bromo-N-cyclohexyl-3-phenylmethoxyaniline
CID 172650668

Frequently Asked Questions

What is the IUPAC name of N-(1-bicyclo[1.1.1]pentanyl)-4-bromo-3-phenylmethoxybenzamide?
The IUPAC name of N-(1-bicyclo[1.1.1]pentanyl)-4-bromo-3-phenylmethoxybenzamide (CID 166001387) is N-(1-bicyclo[1.1.1]pentanyl)-4-bromo-3-phenylmethoxybenzamide.
What is the SMILES notation for N-(1-bicyclo[1.1.1]pentanyl)-4-bromo-3-phenylmethoxybenzamide?
The canonical SMILES for N-(1-bicyclo[1.1.1]pentanyl)-4-bromo-3-phenylmethoxybenzamide is O=C(NC12CC(C1)C2)c1ccc(Br)c(OCc2ccccc2)c1.
What is the InChIKey of N-(1-bicyclo[1.1.1]pentanyl)-4-bromo-3-phenylmethoxybenzamide?
The InChIKey is ONZYCPLTDUDHLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrNO2/c20-16-7-6-15(18(22)21-19-9-14(10-19)11-19)8-17(16)23-12-13-4-2-1-3-5-13/h1-8,14H,9-12H2,(H,21,22).
What are the key properties of N-(1-bicyclo[1.1.1]pentanyl)-4-bromo-3-phenylmethoxybenzamide?
N-(1-bicyclo[1.1.1]pentanyl)-4-bromo-3-phenylmethoxybenzamide has a molecular weight of 372.26 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bicyclo[1.1.1]pentanyl)-4-bromo-3-phenylmethoxybenzamide is sourced from PubChem (CID 166001387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).