N-[(3-fluorophenyl)methyl]-3-[(3-methoxyphenyl)carbamoylamino]-4-pyrrolidin-1-ylbenzamide

C26H27FN4O3 — CID 46348858

IUPACN-[(3-fluorophenyl)methyl]-3-[(3-methoxyphenyl)carbamoylamino]-4-pyrrolidin-1-ylbenzamide
SMILESCOc1cccc(NC(=O)Nc2cc(C(=O)NCc3cccc(F)c3)ccc2N2CCCC2)c1
InChIInChI=1S/C26H27FN4O3/c1-34-22-9-5-8-21(16-22)29-26(33)30-23-15-19(10-11-24(23)31-12-2-3-13-31)25(32)28-17-18-6-4-7-20(27)14-18/h4-11,14-16H,2-3,12-13,17H2,1H3,(H,28,32)(H2,29,30,33)
InChIKeyHWAXFQGZXVIAAD-UHFFFAOYSA-N
MW462.53 g/mol
LogP5.01
Rot. Bonds7

About N-[(3-fluorophenyl)methyl]-3-[(3-methoxyphenyl)carbamoylamino]-4-pyrrolidin-1-ylbenzamide

N-[(3-fluorophenyl)methyl]-3-[(3-methoxyphenyl)carbamoylamino]-4-pyrrolidin-1-ylbenzamide (PubChem CID 46348858) has the molecular formula C26H27FN4O3 and a molecular weight of 462.53 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-3-[(3-methoxyphenyl)carbamoylamino]-4-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-3-[(3-methoxyphenyl)carbamoylamino]-4-pyrrolidin-1-ylbenzamide
PubChem CID46348858
Molecular FormulaC26H27FN4O3
Molecular Weight462.53 g/mol
Exact Mass462.21
IUPAC NameN-[(3-fluorophenyl)methyl]-3-[(3-methoxyphenyl)carbamoylamino]-4-pyrrolidin-1-ylbenzamide
SMILESCOc1cccc(NC(=O)Nc2cc(C(=O)NCc3cccc(F)c3)ccc2N2CCCC2)c1
InChIInChI=1S/C26H27FN4O3/c1-34-22-9-5-8-21(16-22)29-26(33)30-23-15-19(10-11-24(23)31-12-2-3-13-31)25(32)28-17-18-6-4-7-20(27)14-18/h4-11,14-16H,2-3,12-13,17H2,1H3,(H,28,32)(H2,29,30,33)
InChIKeyHWAXFQGZXVIAAD-UHFFFAOYSA-N
XLogP5.01
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.53
LogP ≤ 55.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[(3-fluorophenyl)methyl]-3-[(3-methoxyphenyl)carbamoylamino]-4-pyrrolidin-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

3-[(3-chloro-2-methylphenyl)carbamoylamino]-N-[(3-fluorophenyl)methyl]-4-pyrrolidin-1-ylbenzamide
CID 46348878
N-[(3-fluorophenyl)methyl]-3-[(4-methylphenyl)carbamoylamino]-4-morpholin-4-ylbenzamide
CID 46348983
3-[(3-fluorophenyl)carbamoylamino]-N-[(3-fluorophenyl)methyl]-4-pyrrol-1-ylbenzamide
CID 141480905
N-benzyl-5-[(3-methoxyphenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide
CID 1054769
3-[(3,4-dimethylphenyl)carbamoylamino]-N-[(2-methoxyphenyl)methyl]-4-pyrrolidin-1-ylbenzamide
CID 46348834
4-fluoro-N-[3-[(4-methoxyphenyl)carbamoylamino]-4-pyrrolidin-1-ylphenyl]benzamide
CID 46326630
5-[(2,4-dimethoxyphenyl)carbamoylamino]-N-[(4-fluorophenyl)methyl]-2-pyrrolidin-1-ylbenzamide
CID 1065631
2-chloro-N-[3-[(3-methoxyphenyl)carbamoylamino]-4-piperidin-1-ylphenyl]benzamide
CID 46326591
methyl 3-[(3,5-difluorophenyl)methylcarbamoylamino]-4-pyrrolidin-1-ylbenzoate
CID 55698536
N-[3-[(3-fluorophenyl)carbamoylamino]-4-pyrrolidin-1-ylphenyl]-3-methylbenzamide
CID 46326390
ethyl 3-[(3-methoxyphenyl)carbamoylamino]-4-[4-(3-methoxyphenyl)piperazin-1-yl]benzoate
CID 46371777
N-(5-fluoro-2-pyrrolidin-1-ylphenyl)-4-methoxybenzamide
CID 113092344

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-3-[(3-methoxyphenyl)carbamoylamino]-4-pyrrolidin-1-ylbenzamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-3-[(3-methoxyphenyl)carbamoylamino]-4-pyrrolidin-1-ylbenzamide (CID 46348858) is N-[(3-fluorophenyl)methyl]-3-[(3-methoxyphenyl)carbamoylamino]-4-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-3-[(3-methoxyphenyl)carbamoylamino]-4-pyrrolidin-1-ylbenzamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-3-[(3-methoxyphenyl)carbamoylamino]-4-pyrrolidin-1-ylbenzamide is COc1cccc(NC(=O)Nc2cc(C(=O)NCc3cccc(F)c3)ccc2N2CCCC2)c1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-3-[(3-methoxyphenyl)carbamoylamino]-4-pyrrolidin-1-ylbenzamide?
The InChIKey is HWAXFQGZXVIAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN4O3/c1-34-22-9-5-8-21(16-22)29-26(33)30-23-15-19(10-11-24(23)31-12-2-3-13-31)25(32)28-17-18-6-4-7-20(27)14-18/h4-11,14-16H,2-3,12-13,17H2,1H3,(H,28,32)(H2,29,30,33).
What are the key properties of N-[(3-fluorophenyl)methyl]-3-[(3-methoxyphenyl)carbamoylamino]-4-pyrrolidin-1-ylbenzamide?
N-[(3-fluorophenyl)methyl]-3-[(3-methoxyphenyl)carbamoylamino]-4-pyrrolidin-1-ylbenzamide has a molecular weight of 462.53 g/mol, XLogP of 5.01, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-3-[(3-methoxyphenyl)carbamoylamino]-4-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 46348858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).