(2R)-2-(2-chlorophenoxy)-N-[4-(cyanomethyl)phenyl]butanamide

C18H17ClN2O2 — CID 92646271

IUPAC(2R)-2-(2-chlorophenoxy)-N-[4-(cyanomethyl)phenyl]butanamide
SMILESCC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(CC#N)cc1
InChIInChI=1S/C18H17ClN2O2/c1-2-16(23-17-6-4-3-5-15(17)19)18(22)21-14-9-7-13(8-10-14)11-12-20/h3-10,16H,2,11H2,1H3,(H,21,22)/t16-/m1/s1
InChIKeyARGVZYFZHCJPCW-MRXNPFEDSA-N
MW328.80 g/mol
LogP4.20
Rot. Bonds6

About (2R)-2-(2-chlorophenoxy)-N-[4-(cyanomethyl)phenyl]butanamide

(2R)-2-(2-chlorophenoxy)-N-[4-(cyanomethyl)phenyl]butanamide (PubChem CID 92646271) has the molecular formula C18H17ClN2O2 and a molecular weight of 328.80 g/mol. Its IUPAC name is (2R)-2-(2-chlorophenoxy)-N-[4-(cyanomethyl)phenyl]butanamide.

Molecular Properties

Compound Name(2R)-2-(2-chlorophenoxy)-N-[4-(cyanomethyl)phenyl]butanamide
PubChem CID92646271
Molecular FormulaC18H17ClN2O2
Molecular Weight328.80 g/mol
Exact Mass328.10
IUPAC Name(2R)-2-(2-chlorophenoxy)-N-[4-(cyanomethyl)phenyl]butanamide
SMILESCC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(CC#N)cc1
InChIInChI=1S/C18H17ClN2O2/c1-2-16(23-17-6-4-3-5-15(17)19)18(22)21-14-9-7-13(8-10-14)11-12-20/h3-10,16H,2,11H2,1H3,(H,21,22)/t16-/m1/s1
InChIKeyARGVZYFZHCJPCW-MRXNPFEDSA-N
XLogP4.20
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(2-chlorophenoxy)-N-(4-propan-2-ylphenyl)butanamide
CID 94027219
2-(2-chlorophenoxy)-N-(4-methoxyphenyl)butanamide
CID 43915879
2-(4-chloro-3-methylphenoxy)-N-[4-(cyanomethyl)phenyl]butanamide
CID 132652405
N-(3-chloro-4-fluorophenyl)-2-(2-chlorophenoxy)butanamide
CID 43905967
(2S)-2-(2-chlorophenoxy)-N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]butanamide
CID 92678428
(2S)-2-(2-chlorophenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]butanamide
CID 99131495
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2-chlorophenoxy)butanamide
CID 43885116
(2R)-2-(2-chlorophenoxy)-N-(2,4,5-trichlorophenyl)butanamide
CID 28573433
(2S)-2-(2-chlorophenoxy)-N-(2,4,5-trichlorophenyl)butanamide
CID 28573436
(2R)-N-[(2S)-butan-2-yl]-2-(2-chlorophenoxy)butanamide
CID 38013268
(2R)-2-(2-chlorophenoxy)-N-(2,6-difluorophenyl)butanamide
CID 38002090
2-(2-chlorophenoxy)-N-(2-propan-2-yloxyphenyl)butanamide
CID 53284308

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-chlorophenoxy)-N-[4-(cyanomethyl)phenyl]butanamide?
The IUPAC name of (2R)-2-(2-chlorophenoxy)-N-[4-(cyanomethyl)phenyl]butanamide (CID 92646271) is (2R)-2-(2-chlorophenoxy)-N-[4-(cyanomethyl)phenyl]butanamide.
What is the SMILES notation for (2R)-2-(2-chlorophenoxy)-N-[4-(cyanomethyl)phenyl]butanamide?
The canonical SMILES for (2R)-2-(2-chlorophenoxy)-N-[4-(cyanomethyl)phenyl]butanamide is CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(CC#N)cc1.
What is the InChIKey of (2R)-2-(2-chlorophenoxy)-N-[4-(cyanomethyl)phenyl]butanamide?
The InChIKey is ARGVZYFZHCJPCW-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H17ClN2O2/c1-2-16(23-17-6-4-3-5-15(17)19)18(22)21-14-9-7-13(8-10-14)11-12-20/h3-10,16H,2,11H2,1H3,(H,21,22)/t16-/m1/s1.
What are the key properties of (2R)-2-(2-chlorophenoxy)-N-[4-(cyanomethyl)phenyl]butanamide?
(2R)-2-(2-chlorophenoxy)-N-[4-(cyanomethyl)phenyl]butanamide has a molecular weight of 328.80 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-chlorophenoxy)-N-[4-(cyanomethyl)phenyl]butanamide is sourced from PubChem (CID 92646271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).