4-chloro-N-[[5-[(4-chloroanilino)methyl]furan-2-yl]methyl]aniline

C18H16Cl2N2O — CID 155529656

IUPAC4-chloro-N-[[5-[(4-chloroanilino)methyl]furan-2-yl]methyl]aniline
SMILESClc1ccc(NCc2ccc(CNc3ccc(Cl)cc3)o2)cc1
InChIInChI=1S/C18H16Cl2N2O/c19-13-1-5-15(6-2-13)21-11-17-9-10-18(23-17)12-22-16-7-3-14(20)4-8-16/h1-10,21-22H,11-12H2
InChIKeyCDSKVJIPKNCHQO-UHFFFAOYSA-N
MW347.25 g/mol
LogP5.81
Rot. Bonds6

About 4-chloro-N-[[5-[(4-chloroanilino)methyl]furan-2-yl]methyl]aniline

4-chloro-N-[[5-[(4-chloroanilino)methyl]furan-2-yl]methyl]aniline (PubChem CID 155529656) has the molecular formula C18H16Cl2N2O and a molecular weight of 347.25 g/mol. Its IUPAC name is 4-chloro-N-[[5-[(4-chloroanilino)methyl]furan-2-yl]methyl]aniline.

Molecular Properties

Compound Name4-chloro-N-[[5-[(4-chloroanilino)methyl]furan-2-yl]methyl]aniline
PubChem CID155529656
Molecular FormulaC18H16Cl2N2O
Molecular Weight347.25 g/mol
Exact Mass346.06
IUPAC Name4-chloro-N-[[5-[(4-chloroanilino)methyl]furan-2-yl]methyl]aniline
SMILESClc1ccc(NCc2ccc(CNc3ccc(Cl)cc3)o2)cc1
InChIInChI=1S/C18H16Cl2N2O/c19-13-1-5-15(6-2-13)21-11-17-9-10-18(23-17)12-22-16-7-3-14(20)4-8-16/h1-10,21-22H,11-12H2
InChIKeyCDSKVJIPKNCHQO-UHFFFAOYSA-N
XLogP5.81
TPSA37.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.25
LogP ≤ 55.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)furan-2-carboxamide
CID 790315
N-(4-chlorophenyl)-N'-(2-furylmethyl)thiourea
CID 841941
N-[(furan-2-yl)methyl]aniline
CID 57541
4-chloro-N-(furan-2-ylmethyl)aniline
CID 968932
1-(4-Chlorophenyl)-4-(2-furylmethyl)piperazine
CID 764185
1-[(5-Bromo-2-furyl)methyl]-4-(4-chlorophenyl)piperazine
CID 1067888
1-(2-Chlorophenyl)-4-[(5-methyl-2-furyl)methyl]piperazine
CID 23723071
N-(3-Chlorophenyl)-N'-(2-furylmethyl)urea
CID 858198
1-(4-chlorophenyl)-N-(furan-2-ylmethyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide
CID 651071
Furan-2-carboxylic acid {[cyclohexylcarbamoylmethyl-(3,4-dichloro-phenyl)-carbamoyl]-methyl}-amide
CID 656329
N'-(4-chlorophenyl)-N-(2-furylmethyl)-N-(3-morpholin-4-ylpropyl)thiourea
CID 4181516
2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-(furan-2-ylmethyl)acetamide
CID 9166788

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[5-[(4-chloroanilino)methyl]furan-2-yl]methyl]aniline?
The IUPAC name of 4-chloro-N-[[5-[(4-chloroanilino)methyl]furan-2-yl]methyl]aniline (CID 155529656) is 4-chloro-N-[[5-[(4-chloroanilino)methyl]furan-2-yl]methyl]aniline.
What is the SMILES notation for 4-chloro-N-[[5-[(4-chloroanilino)methyl]furan-2-yl]methyl]aniline?
The canonical SMILES for 4-chloro-N-[[5-[(4-chloroanilino)methyl]furan-2-yl]methyl]aniline is Clc1ccc(NCc2ccc(CNc3ccc(Cl)cc3)o2)cc1.
What is the InChIKey of 4-chloro-N-[[5-[(4-chloroanilino)methyl]furan-2-yl]methyl]aniline?
The InChIKey is CDSKVJIPKNCHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N2O/c19-13-1-5-15(6-2-13)21-11-17-9-10-18(23-17)12-22-16-7-3-14(20)4-8-16/h1-10,21-22H,11-12H2.
What are the key properties of 4-chloro-N-[[5-[(4-chloroanilino)methyl]furan-2-yl]methyl]aniline?
4-chloro-N-[[5-[(4-chloroanilino)methyl]furan-2-yl]methyl]aniline has a molecular weight of 347.25 g/mol, XLogP of 5.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[5-[(4-chloroanilino)methyl]furan-2-yl]methyl]aniline is sourced from PubChem (CID 155529656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).