N-[[4-(4-chlorophenyl)-2-fluorophenyl]methyl]piperazine-1-carboxamide

C18H19ClFN3O — CID 46884034

IUPACN-[[4-(4-chlorophenyl)-2-fluorophenyl]methyl]piperazine-1-carboxamide
SMILESO=C(NCc1ccc(-c2ccc(Cl)cc2)cc1F)N1CCNCC1
InChIInChI=1S/C18H19ClFN3O/c19-16-5-3-13(4-6-16)14-1-2-15(17(20)11-14)12-22-18(24)23-9-7-21-8-10-23/h1-6,11,21H,7-10,12H2,(H,22,24)
InChIKeyOFDICSWOZIVFQA-UHFFFAOYSA-N
MW347.82 g/mol
LogP3.26
Rot. Bonds3

About N-[[4-(4-chlorophenyl)-2-fluorophenyl]methyl]piperazine-1-carboxamide

N-[[4-(4-chlorophenyl)-2-fluorophenyl]methyl]piperazine-1-carboxamide (PubChem CID 46884034) has the molecular formula C18H19ClFN3O and a molecular weight of 347.82 g/mol. Its IUPAC name is N-[[4-(4-chlorophenyl)-2-fluorophenyl]methyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[[4-(4-chlorophenyl)-2-fluorophenyl]methyl]piperazine-1-carboxamide
PubChem CID46884034
Molecular FormulaC18H19ClFN3O
Molecular Weight347.82 g/mol
Exact Mass347.12
IUPAC NameN-[[4-(4-chlorophenyl)-2-fluorophenyl]methyl]piperazine-1-carboxamide
SMILESO=C(NCc1ccc(-c2ccc(Cl)cc2)cc1F)N1CCNCC1
InChIInChI=1S/C18H19ClFN3O/c19-16-5-3-13(4-6-16)14-1-2-15(17(20)11-14)12-22-18(24)23-9-7-21-8-10-23/h1-6,11,21H,7-10,12H2,(H,22,24)
InChIKeyOFDICSWOZIVFQA-UHFFFAOYSA-N
XLogP3.26
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.82
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[[4-(4-chlorophenyl)-2-fluorophenyl]methyl]piperazine-1-carboxamide 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-[(5-bromo-2-fluorophenyl)methyl]piperazine-1-carboxamide
CID 115171561
N-[(2,4-difluorophenyl)methyl]azepane-1-carboxamide
CID 115598132
N-[(2-bromophenyl)methyl]piperazine-1-carboxamide
CID 83559377
N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]pyrrolidine-1-carboxamide
CID 143615163
(4-chloro-2-fluorophenyl)methyl piperazine-1-carboxylate
CID 66720606
N-[(2,4-dichlorophenyl)methyl]-4-(2-fluorophenyl)piperazine-1-carboxamide
CID 4987887
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]piperidine-1-carboxamide
CID 79155872
1-[(4-chloro-2-fluorophenyl)methylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122010820
3-(2,4-dichlorophenyl)-1-piperazin-1-ylpropan-1-one
CID 82134878
4-(2,5-dichlorophenyl)-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
CID 113107693
2-(2,4-dichlorophenyl)-1-piperazin-1-ylethanone
CID 14964763
2-(4-chloro-2-methylphenyl)-1-piperazin-1-ylethanone
CID 82511847

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-chlorophenyl)-2-fluorophenyl]methyl]piperazine-1-carboxamide?
The IUPAC name of N-[[4-(4-chlorophenyl)-2-fluorophenyl]methyl]piperazine-1-carboxamide (CID 46884034) is N-[[4-(4-chlorophenyl)-2-fluorophenyl]methyl]piperazine-1-carboxamide.
What is the SMILES notation for N-[[4-(4-chlorophenyl)-2-fluorophenyl]methyl]piperazine-1-carboxamide?
The canonical SMILES for N-[[4-(4-chlorophenyl)-2-fluorophenyl]methyl]piperazine-1-carboxamide is O=C(NCc1ccc(-c2ccc(Cl)cc2)cc1F)N1CCNCC1.
What is the InChIKey of N-[[4-(4-chlorophenyl)-2-fluorophenyl]methyl]piperazine-1-carboxamide?
The InChIKey is OFDICSWOZIVFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFN3O/c19-16-5-3-13(4-6-16)14-1-2-15(17(20)11-14)12-22-18(24)23-9-7-21-8-10-23/h1-6,11,21H,7-10,12H2,(H,22,24).
What are the key properties of N-[[4-(4-chlorophenyl)-2-fluorophenyl]methyl]piperazine-1-carboxamide?
N-[[4-(4-chlorophenyl)-2-fluorophenyl]methyl]piperazine-1-carboxamide has a molecular weight of 347.82 g/mol, XLogP of 3.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-chlorophenyl)-2-fluorophenyl]methyl]piperazine-1-carboxamide is sourced from PubChem (CID 46884034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).