N-[(4-chloro-3-fluorophenyl)methyl]-3-pyrrol-1-ylaniline

C17H14ClFN2 — CID 63445705

IUPACN-[(4-chloro-3-fluorophenyl)methyl]-3-pyrrol-1-ylaniline
SMILESFc1cc(CNc2cccc(-n3cccc3)c2)ccc1Cl
InChIInChI=1S/C17H14ClFN2/c18-16-7-6-13(10-17(16)19)12-20-14-4-3-5-15(11-14)21-8-1-2-9-21/h1-11,20H,12H2
InChIKeyROQPDOFYZVZXBR-UHFFFAOYSA-N
MW300.76 g/mol
LogP4.88
Rot. Bonds4

About N-[(4-chloro-3-fluorophenyl)methyl]-3-pyrrol-1-ylaniline

N-[(4-chloro-3-fluorophenyl)methyl]-3-pyrrol-1-ylaniline (PubChem CID 63445705) has the molecular formula C17H14ClFN2 and a molecular weight of 300.76 g/mol. Its IUPAC name is N-[(4-chloro-3-fluorophenyl)methyl]-3-pyrrol-1-ylaniline.

Molecular Properties

Compound NameN-[(4-chloro-3-fluorophenyl)methyl]-3-pyrrol-1-ylaniline
PubChem CID63445705
Molecular FormulaC17H14ClFN2
Molecular Weight300.76 g/mol
Exact Mass300.08
IUPAC NameN-[(4-chloro-3-fluorophenyl)methyl]-3-pyrrol-1-ylaniline
SMILESFc1cc(CNc2cccc(-n3cccc3)c2)ccc1Cl
InChIInChI=1S/C17H14ClFN2/c18-16-7-6-13(10-17(16)19)12-20-14-4-3-5-15(11-14)21-8-1-2-9-21/h1-11,20H,12H2
InChIKeyROQPDOFYZVZXBR-UHFFFAOYSA-N
XLogP4.88
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.76
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(4-chloro-3-fluorophenyl)methyl]-3-pyrrol-1-ylaniline 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-[(2,6-dichlorophenyl)methyl]-3-pyrrol-1-ylaniline
CID 43733014
N-[(4-chloro-3-fluorophenyl)methyl]-3-(3-chloropropyl)aniline
CID 107887554
4-chloro-N-[(3,4-difluorophenyl)methyl]-3-fluoroaniline
CID 43721394
N-[(2,3-difluorophenyl)methyl]-3-pyrrol-1-ylaniline
CID 63667721
N-[3-[(4-chloro-3-fluorophenyl)methylamino]phenyl]-2-hydroxyacetamide
CID 71968012
4-chloro-N-[(3-chlorophenyl)methyl]-3-fluoroaniline
CID 43721513
N-[(4-chloro-3-fluorophenyl)methyl]-4-(chloromethyl)aniline
CID 107887420
4-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-3-fluoroaniline
CID 81145480
N-[(5-bromo-2-fluorophenyl)methyl]-3-pyrrol-1-ylaniline
CID 43732956
2-fluoro-4-[(3-imidazol-1-ylanilino)methyl]phenol
CID 107685401
2-chloro-4-[(4-chloro-3-fluorophenyl)methylamino]phenol
CID 107678415
N-(pyridin-3-ylmethyl)-3-pyrrol-1-ylaniline
CID 43732990

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-3-fluorophenyl)methyl]-3-pyrrol-1-ylaniline?
The IUPAC name of N-[(4-chloro-3-fluorophenyl)methyl]-3-pyrrol-1-ylaniline (CID 63445705) is N-[(4-chloro-3-fluorophenyl)methyl]-3-pyrrol-1-ylaniline.
What is the SMILES notation for N-[(4-chloro-3-fluorophenyl)methyl]-3-pyrrol-1-ylaniline?
The canonical SMILES for N-[(4-chloro-3-fluorophenyl)methyl]-3-pyrrol-1-ylaniline is Fc1cc(CNc2cccc(-n3cccc3)c2)ccc1Cl.
What is the InChIKey of N-[(4-chloro-3-fluorophenyl)methyl]-3-pyrrol-1-ylaniline?
The InChIKey is ROQPDOFYZVZXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN2/c18-16-7-6-13(10-17(16)19)12-20-14-4-3-5-15(11-14)21-8-1-2-9-21/h1-11,20H,12H2.
What are the key properties of N-[(4-chloro-3-fluorophenyl)methyl]-3-pyrrol-1-ylaniline?
N-[(4-chloro-3-fluorophenyl)methyl]-3-pyrrol-1-ylaniline has a molecular weight of 300.76 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-3-fluorophenyl)methyl]-3-pyrrol-1-ylaniline is sourced from PubChem (CID 63445705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).