N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]-4-fluoroaniline

C17H12Cl2FNO — CID 1446213

IUPACN-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]-4-fluoroaniline
SMILESFc1ccc(NCc2ccc(-c3ccc(Cl)cc3Cl)o2)cc1
InChIInChI=1S/C17H12Cl2FNO/c18-11-1-7-15(16(19)9-11)17-8-6-14(22-17)10-21-13-4-2-12(20)3-5-13/h1-9,21H,10H2
InChIKeyORQZDNLVAHAGGG-UHFFFAOYSA-N
MW336.19 g/mol
LogP6.00
Rot. Bonds4

About N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]-4-fluoroaniline

N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]-4-fluoroaniline (PubChem CID 1446213) has the molecular formula C17H12Cl2FNO and a molecular weight of 336.19 g/mol. Its IUPAC name is N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]-4-fluoroaniline.

Molecular Properties

Compound NameN-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]-4-fluoroaniline
PubChem CID1446213
Molecular FormulaC17H12Cl2FNO
Molecular Weight336.19 g/mol
Exact Mass335.03
IUPAC NameN-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]-4-fluoroaniline
SMILESFc1ccc(NCc2ccc(-c3ccc(Cl)cc3Cl)o2)cc1
InChIInChI=1S/C17H12Cl2FNO/c18-11-1-7-15(16(19)9-11)17-8-6-14(22-17)10-21-13-4-2-12(20)3-5-13/h1-9,21H,10H2
InChIKeyORQZDNLVAHAGGG-UHFFFAOYSA-N
XLogP6.00
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.19
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[5-(2,5-dichlorophenyl)furan-2-yl]methyl]-1-(4-fluorophenyl)methanamine;hydrochloride
CID 17332038
1-(4-chlorophenyl)-N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]methanamine
CID 71611033
N-[[5-(2-chloro-4-fluorophenyl)furan-2-yl]methyl]ethanamine
CID 43624793
1-(2-chlorophenyl)-N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]methanamine;hydrochloride
CID 17332799
N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]-2-(2-fluorophenyl)ethanamine
CID 4724330
2-chloro-N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]-4,5-difluorobenzamide
CID 2174440
N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]octan-1-amine;hydrochloride
CID 17332919
N-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]-4-methylsulfinylaniline
CID 119033407
N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]-1-(2-methoxyphenyl)methanamine
CID 17208246
3-[5-(2,4-dichlorophenyl)furan-2-yl]propan-1-ol
CID 170887541
3-butoxy-N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]propan-1-amine;hydrochloride
CID 17207840
2-chloro-4-[[5-(2-fluorophenyl)furan-2-yl]methylamino]benzoic acid
CID 17058553

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]-4-fluoroaniline?
The IUPAC name of N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]-4-fluoroaniline (CID 1446213) is N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]-4-fluoroaniline.
What is the SMILES notation for N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]-4-fluoroaniline?
The canonical SMILES for N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]-4-fluoroaniline is Fc1ccc(NCc2ccc(-c3ccc(Cl)cc3Cl)o2)cc1.
What is the InChIKey of N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]-4-fluoroaniline?
The InChIKey is ORQZDNLVAHAGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2FNO/c18-11-1-7-15(16(19)9-11)17-8-6-14(22-17)10-21-13-4-2-12(20)3-5-13/h1-9,21H,10H2.
What are the key properties of N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]-4-fluoroaniline?
N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]-4-fluoroaniline has a molecular weight of 336.19 g/mol, XLogP of 6.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]-4-fluoroaniline is sourced from PubChem (CID 1446213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).