2-(2-chlorophenyl)-N-(2-cyanopropyl)-N-ethylacetamide

C14H17ClN2O — CID 54979575

IUPAC2-(2-chlorophenyl)-N-(2-cyanopropyl)-N-ethylacetamide
SMILESCCN(CC(C)C#N)C(=O)Cc1ccccc1Cl
InChIInChI=1S/C14H17ClN2O/c1-3-17(10-11(2)9-16)14(18)8-12-6-4-5-7-13(12)15/h4-7,11H,3,8,10H2,1-2H3
InChIKeyOOTSGHGWJJJNGA-UHFFFAOYSA-N
MW264.76 g/mol
LogP2.89
Rot. Bonds5

About 2-(2-chlorophenyl)-N-(2-cyanopropyl)-N-ethylacetamide

2-(2-chlorophenyl)-N-(2-cyanopropyl)-N-ethylacetamide (PubChem CID 54979575) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-(2-cyanopropyl)-N-ethylacetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-(2-cyanopropyl)-N-ethylacetamide
PubChem CID54979575
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC Name2-(2-chlorophenyl)-N-(2-cyanopropyl)-N-ethylacetamide
SMILESCCN(CC(C)C#N)C(=O)Cc1ccccc1Cl
InChIInChI=1S/C14H17ClN2O/c1-3-17(10-11(2)9-16)14(18)8-12-6-4-5-7-13(12)15/h4-7,11H,3,8,10H2,1-2H3
InChIKeyOOTSGHGWJJJNGA-UHFFFAOYSA-N
XLogP2.89
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 51092598
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CID 47268305
2-(2-chlorophenyl)-N-ethyl-N-prop-2-ynylacetamide
CID 78970866
2-[benzyl(propyl)amino]-N-(2-cyanopropyl)-N-ethylacetamide
CID 87013152
2-(4-chlorophenyl)sulfonyl-N-(2-cyanopropyl)-N-ethylacetamide
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3-chloro-N-(2-cyanopropyl)-N-ethylpyridine-4-carboxamide
CID 66463593
3-chloro-N-(2-cyanopropyl)-N-ethylbenzamide
CID 54979092
2-(2-acetylanilino)-N-[(2R)-2-cyanopropyl]-N-ethylacetamide
CID 97054710
3-[[2-(2-chlorophenyl)acetyl]-ethylamino]butanoic acid
CID 55123907
N-(2-cyanopropyl)-N-ethyl-2-(5-phenyltetrazol-2-yl)acetamide
CID 60514491
2-(2-chlorophenyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)acetamide
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2-amino-N-(2-cyanopropyl)-N-ethyl-4-phenylbutanamide
CID 114926862

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-(2-cyanopropyl)-N-ethylacetamide?
The IUPAC name of 2-(2-chlorophenyl)-N-(2-cyanopropyl)-N-ethylacetamide (CID 54979575) is 2-(2-chlorophenyl)-N-(2-cyanopropyl)-N-ethylacetamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-(2-cyanopropyl)-N-ethylacetamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-(2-cyanopropyl)-N-ethylacetamide is CCN(CC(C)C#N)C(=O)Cc1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-N-(2-cyanopropyl)-N-ethylacetamide?
The InChIKey is OOTSGHGWJJJNGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O/c1-3-17(10-11(2)9-16)14(18)8-12-6-4-5-7-13(12)15/h4-7,11H,3,8,10H2,1-2H3.
What are the key properties of 2-(2-chlorophenyl)-N-(2-cyanopropyl)-N-ethylacetamide?
2-(2-chlorophenyl)-N-(2-cyanopropyl)-N-ethylacetamide has a molecular weight of 264.76 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-(2-cyanopropyl)-N-ethylacetamide is sourced from PubChem (CID 54979575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).