N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-4-pyrrol-1-ylbenzamide

C22H22N2O2 — CID 110441001

IUPACN-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-4-pyrrol-1-ylbenzamide
SMILESCOc1ccccc1C1(CNC(=O)c2ccc(-n3cccc3)cc2)CC1
InChIInChI=1S/C22H22N2O2/c1-26-20-7-3-2-6-19(20)22(12-13-22)16-23-21(25)17-8-10-18(11-9-17)24-14-4-5-15-24/h2-11,14-15H,12-13,16H2,1H3,(H,23,25)
InChIKeyUFWPJFKFHJFSGN-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.95
Rot. Bonds6

About N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-4-pyrrol-1-ylbenzamide

N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-4-pyrrol-1-ylbenzamide (PubChem CID 110441001) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-4-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-4-pyrrol-1-ylbenzamide
PubChem CID110441001
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC NameN-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-4-pyrrol-1-ylbenzamide
SMILESCOc1ccccc1C1(CNC(=O)c2ccc(-n3cccc3)cc2)CC1
InChIInChI=1S/C22H22N2O2/c1-26-20-7-3-2-6-19(20)22(12-13-22)16-23-21(25)17-8-10-18(11-9-17)24-14-4-5-15-24/h2-11,14-15H,12-13,16H2,1H3,(H,23,25)
InChIKeyUFWPJFKFHJFSGN-UHFFFAOYSA-N
XLogP3.95
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-4-pyrrol-1-ylbenzamide 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-methoxy-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 27449238
N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]pyridine-4-carboxamide
CID 110444850
N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-4-propylbenzamide
CID 27449368
3-fluoro-N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]benzamide
CID 42265812
2-methoxy-N-[2-[(4-pyrrol-1-ylbenzoyl)amino]ethyl]benzamide
CID 108538081
3,4-dimethoxy-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 27449461
N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-4-propan-2-yloxybenzamide
CID 27449266
N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]pyridine-2-carboxamide
CID 110444314
N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]pyrrolidine-1-carboxamide
CID 60612311
N-[(3-methyloxetan-3-yl)methyl]-4-pyrrol-1-ylbenzamide
CID 78957044
3,4,5-trimethoxy-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 27449244
3-fluoro-N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]benzamide
CID 110444038

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-4-pyrrol-1-ylbenzamide?
The IUPAC name of N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-4-pyrrol-1-ylbenzamide (CID 110441001) is N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-4-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-4-pyrrol-1-ylbenzamide?
The canonical SMILES for N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-4-pyrrol-1-ylbenzamide is COc1ccccc1C1(CNC(=O)c2ccc(-n3cccc3)cc2)CC1.
What is the InChIKey of N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-4-pyrrol-1-ylbenzamide?
The InChIKey is UFWPJFKFHJFSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2/c1-26-20-7-3-2-6-19(20)22(12-13-22)16-23-21(25)17-8-10-18(11-9-17)24-14-4-5-15-24/h2-11,14-15H,12-13,16H2,1H3,(H,23,25).
What are the key properties of N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-4-pyrrol-1-ylbenzamide?
N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-4-pyrrol-1-ylbenzamide has a molecular weight of 346.43 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-4-pyrrol-1-ylbenzamide is sourced from PubChem (CID 110441001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).