2-chloro-N-(2-cyanoethyl)-N-(2-phenylethyl)propanamide

C14H17ClN2O — CID 82102572

IUPAC2-chloro-N-(2-cyanoethyl)-N-(2-phenylethyl)propanamide
SMILESCC(Cl)C(=O)N(CCC#N)CCc1ccccc1
InChIInChI=1S/C14H17ClN2O/c1-12(15)14(18)17(10-5-9-16)11-8-13-6-3-2-4-7-13/h2-4,6-7,12H,5,8,10-11H2,1H3
InChIKeyDLVPWPLGQRSPCQ-UHFFFAOYSA-N
MW264.76 g/mol
LogP2.60
Rot. Bonds6

About 2-chloro-N-(2-cyanoethyl)-N-(2-phenylethyl)propanamide

2-chloro-N-(2-cyanoethyl)-N-(2-phenylethyl)propanamide (PubChem CID 82102572) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is 2-chloro-N-(2-cyanoethyl)-N-(2-phenylethyl)propanamide.

Molecular Properties

Compound Name2-chloro-N-(2-cyanoethyl)-N-(2-phenylethyl)propanamide
PubChem CID82102572
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC Name2-chloro-N-(2-cyanoethyl)-N-(2-phenylethyl)propanamide
SMILESCC(Cl)C(=O)N(CCC#N)CCc1ccccc1
InChIInChI=1S/C14H17ClN2O/c1-12(15)14(18)17(10-5-9-16)11-8-13-6-3-2-4-7-13/h2-4,6-7,12H,5,8,10-11H2,1H3
InChIKeyDLVPWPLGQRSPCQ-UHFFFAOYSA-N
XLogP2.60
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(2-cyanoethyl)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 82102637
2-chloro-N-(2-cyanoethyl)-N-(2-phenylethyl)benzamide
CID 54790334
N-(2-cyanoethyl)-N-(2-phenylethyl)-4-propan-2-yloxybenzamide
CID 54790398
2-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)-4-phenylbutanamide
CID 114926898
N-(2-cyanoethyl)-N-(2-phenylethyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 54790525
2-chloro-N-(2-cyanoethyl)-N-(2-hydroxypropyl)propanamide
CID 82102552
2-methoxyethyl 4-[2-cyanoethyl(2-phenylethyl)amino]-4-oxobutanoate
CID 54790631
(2R)-N-(2-cyanoethyl)-N-ethyl-3-methyl-2-phenylbutanamide
CID 97329844
N-(2-cyanoethyl)-2-(2-methoxyphenoxy)-N-(2-phenylethyl)acetamide
CID 54790706
N-(1,3-benzodioxol-5-ylmethyl)-2-chloro-N-(2-cyanoethyl)propanamide
CID 82102588
1-(2-cyanoethyl)-1-ethyl-3-(2-phenylethyl)urea
CID 47075715
N-(2-cyanoethyl)-N-(2-phenylethyl)-2-phenylmethoxybenzamide
CID 54790711

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-cyanoethyl)-N-(2-phenylethyl)propanamide?
The IUPAC name of 2-chloro-N-(2-cyanoethyl)-N-(2-phenylethyl)propanamide (CID 82102572) is 2-chloro-N-(2-cyanoethyl)-N-(2-phenylethyl)propanamide.
What is the SMILES notation for 2-chloro-N-(2-cyanoethyl)-N-(2-phenylethyl)propanamide?
The canonical SMILES for 2-chloro-N-(2-cyanoethyl)-N-(2-phenylethyl)propanamide is CC(Cl)C(=O)N(CCC#N)CCc1ccccc1.
What is the InChIKey of 2-chloro-N-(2-cyanoethyl)-N-(2-phenylethyl)propanamide?
The InChIKey is DLVPWPLGQRSPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O/c1-12(15)14(18)17(10-5-9-16)11-8-13-6-3-2-4-7-13/h2-4,6-7,12H,5,8,10-11H2,1H3.
What are the key properties of 2-chloro-N-(2-cyanoethyl)-N-(2-phenylethyl)propanamide?
2-chloro-N-(2-cyanoethyl)-N-(2-phenylethyl)propanamide has a molecular weight of 264.76 g/mol, XLogP of 2.60, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-cyanoethyl)-N-(2-phenylethyl)propanamide is sourced from PubChem (CID 82102572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).