N-benzyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-4-phenylbenzamide

C32H27FN2O — CID 3546088

IUPACN-benzyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-4-phenylbenzamide
SMILESO=C(c1ccc(-c2ccccc2)cc1)N(Cc1ccccc1)Cc1cccn1Cc1cccc(F)c1
InChIInChI=1S/C32H27FN2O/c33-30-14-7-11-26(21-30)23-34-20-8-15-31(34)24-35(22-25-9-3-1-4-10-25)32(36)29-18-16-28(17-19-29)27-12-5-2-6-13-27/h1-21H,22-24H2
InChIKeyVRMZIBAMHIXTOE-UHFFFAOYSA-N
MW474.58 g/mol
LogP7.19
Rot. Bonds8

About N-benzyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-4-phenylbenzamide

N-benzyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-4-phenylbenzamide (PubChem CID 3546088) has the molecular formula C32H27FN2O and a molecular weight of 474.58 g/mol. Its IUPAC name is N-benzyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-benzyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-4-phenylbenzamide
PubChem CID3546088
Molecular FormulaC32H27FN2O
Molecular Weight474.58 g/mol
Exact Mass474.21
IUPAC NameN-benzyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-4-phenylbenzamide
SMILESO=C(c1ccc(-c2ccccc2)cc1)N(Cc1ccccc1)Cc1cccn1Cc1cccc(F)c1
InChIInChI=1S/C32H27FN2O/c33-30-14-7-11-26(21-30)23-34-20-8-15-31(34)24-35(22-25-9-3-1-4-10-25)32(36)29-18-16-28(17-19-29)27-12-5-2-6-13-27/h1-21H,22-24H2
InChIKeyVRMZIBAMHIXTOE-UHFFFAOYSA-N
XLogP7.19
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.58
LogP ≤ 57.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-benzyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-4-phenylbenzamide 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

N-benzyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]naphthalene-2-carboxamide
CID 3541822
N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-4-methyl-N-propylbenzamide
CID 5010882
N-benzyl-N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-3-fluorobenzamide
CID 4242364
N-benzyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-2-methoxybenzamide
CID 3915746
4-fluoro-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-N-pentylbenzamide
CID 3618198
N-benzyl-2-chloro-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]propanamide
CID 3322916
N-benzyl-4-fluoro-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]benzamide
CID 5041537
N-benzyl-3-methoxy-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]benzamide
CID 3975484
N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-2,2-diphenyl-N-prop-2-enylacetamide
CID 3428555
N-benzyl-N-[(1-benzylpyrrol-2-yl)methyl]-4-nitrobenzamide
CID 42763101
N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-N-propylacetamide
CID 42764320
N-benzyl-N-[(1-benzylpyrrol-2-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 3400775

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-4-phenylbenzamide?
The IUPAC name of N-benzyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-4-phenylbenzamide (CID 3546088) is N-benzyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-4-phenylbenzamide.
What is the SMILES notation for N-benzyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-4-phenylbenzamide?
The canonical SMILES for N-benzyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-4-phenylbenzamide is O=C(c1ccc(-c2ccccc2)cc1)N(Cc1ccccc1)Cc1cccn1Cc1cccc(F)c1.
What is the InChIKey of N-benzyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-4-phenylbenzamide?
The InChIKey is VRMZIBAMHIXTOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27FN2O/c33-30-14-7-11-26(21-30)23-34-20-8-15-31(34)24-35(22-25-9-3-1-4-10-25)32(36)29-18-16-28(17-19-29)27-12-5-2-6-13-27/h1-21H,22-24H2.
What are the key properties of N-benzyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-4-phenylbenzamide?
N-benzyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-4-phenylbenzamide has a molecular weight of 474.58 g/mol, XLogP of 7.19, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-4-phenylbenzamide is sourced from PubChem (CID 3546088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).