(2R)-2-[[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]methyl]pentanedinitrile

C18H18ClN3O — CID 32526863

IUPAC(2R)-2-[[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]methyl]pentanedinitrile
SMILESCN(Cc1ccc(-c2ccc(Cl)cc2)o1)C[C@H](C#N)CCC#N
InChIInChI=1S/C18H18ClN3O/c1-22(12-14(11-21)3-2-10-20)13-17-8-9-18(23-17)15-4-6-16(19)7-5-15/h4-9,14H,2-3,12-13H2,1H3/t14-/m0/s1
InChIKeyQFWFUSDQZSTXQQ-AWEZNQCLSA-N
MW327.81 g/mol
LogP4.48
Rot. Bonds7

About (2R)-2-[[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]methyl]pentanedinitrile

(2R)-2-[[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]methyl]pentanedinitrile (PubChem CID 32526863) has the molecular formula C18H18ClN3O and a molecular weight of 327.81 g/mol. Its IUPAC name is (2R)-2-[[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]methyl]pentanedinitrile.

Molecular Properties

Compound Name(2R)-2-[[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]methyl]pentanedinitrile
PubChem CID32526863
Molecular FormulaC18H18ClN3O
Molecular Weight327.81 g/mol
Exact Mass327.11
IUPAC Name(2R)-2-[[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]methyl]pentanedinitrile
SMILESCN(Cc1ccc(-c2ccc(Cl)cc2)o1)C[C@H](C#N)CCC#N
InChIInChI=1S/C18H18ClN3O/c1-22(12-14(11-21)3-2-10-20)13-17-8-9-18(23-17)15-4-6-16(19)7-5-15/h4-9,14H,2-3,12-13H2,1H3/t14-/m0/s1
InChIKeyQFWFUSDQZSTXQQ-AWEZNQCLSA-N
XLogP4.48
TPSA63.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.81
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methylprop-2-yn-1-amine
CID 21388068
1-[5-(4-chlorophenyl)furan-2-yl]-N,N-dimethylmethanamine;hydrochloride
CID 131862742
(2R)-2-[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]propanamide
CID 8857548
1-[[5-(4-bromophenyl)furan-2-yl]methyl-methylamino]propan-2-ol
CID 62334158
2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]acetonitrile;hydrochloride
CID 17332098
N,N-bis[[5-(4-chlorophenyl)furan-2-yl]methyl]pentan-1-amine
CID 21413431
2-[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]-N-(methylcarbamoyl)propanamide
CID 42883929
2-(4-chlorophenyl)-5-propylfuran
CID 91550346
2-[[5-(4-chlorophenyl)tetrazol-2-yl]methyl]pentanedinitrile
CID 17417341
N'-[2-[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]acetyl]benzohydrazide
CID 9435447
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methyl-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine
CID 17392897
[2-[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]azanium
CID 8772515

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]methyl]pentanedinitrile?
The IUPAC name of (2R)-2-[[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]methyl]pentanedinitrile (CID 32526863) is (2R)-2-[[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]methyl]pentanedinitrile.
What is the SMILES notation for (2R)-2-[[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]methyl]pentanedinitrile?
The canonical SMILES for (2R)-2-[[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]methyl]pentanedinitrile is CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C[C@H](C#N)CCC#N.
What is the InChIKey of (2R)-2-[[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]methyl]pentanedinitrile?
The InChIKey is QFWFUSDQZSTXQQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H18ClN3O/c1-22(12-14(11-21)3-2-10-20)13-17-8-9-18(23-17)15-4-6-16(19)7-5-15/h4-9,14H,2-3,12-13H2,1H3/t14-/m0/s1.
What are the key properties of (2R)-2-[[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]methyl]pentanedinitrile?
(2R)-2-[[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]methyl]pentanedinitrile has a molecular weight of 327.81 g/mol, XLogP of 4.48, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]methyl]pentanedinitrile is sourced from PubChem (CID 32526863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).