N-(3-cyanophenyl)-2-cyclopropylacetamide

C12H12N2O — CID 56828279

IUPACN-(3-cyanophenyl)-2-cyclopropylacetamide
SMILESN#Cc1cccc(NC(=O)CC2CC2)c1
InChIInChI=1S/C12H12N2O/c13-8-10-2-1-3-11(6-10)14-12(15)7-9-4-5-9/h1-3,6,9H,4-5,7H2,(H,14,15)
InChIKeyHMNTZFJVJYBRDD-UHFFFAOYSA-N
MW200.24 g/mol
LogP2.30
Rot. Bonds3

About N-(3-cyanophenyl)-2-cyclopropylacetamide

N-(3-cyanophenyl)-2-cyclopropylacetamide (PubChem CID 56828279) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-cyclopropylacetamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-cyclopropylacetamide
PubChem CID56828279
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC NameN-(3-cyanophenyl)-2-cyclopropylacetamide
SMILESN#Cc1cccc(NC(=O)CC2CC2)c1
InChIInChI=1S/C12H12N2O/c13-8-10-2-1-3-11(6-10)14-12(15)7-9-4-5-9/h1-3,6,9H,4-5,7H2,(H,14,15)
InChIKeyHMNTZFJVJYBRDD-UHFFFAOYSA-N
XLogP2.30
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(3-cyanophenyl)-3-(cyclopropylmethyl)urea
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2-[(3R)-1-benzylpyrrolidin-3-yl]-N-(3-cyanophenyl)acetamide
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N-(3-cyanophenyl)-2-(cyclopentylmethylsulfanyl)acetamide
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N-(3-cyanophenyl)-2-(1-methylpiperidin-2-yl)acetamide
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[2-(3-cyanoanilino)-2-oxoethyl]-cyclooctylazanium
CID 9265356
2-[1-[2-(3-cyanoanilino)-2-oxoethyl]azetidin-3-yl]acetic acid
CID 64618327
2-(1-aminocyclobutyl)-N-(3-cyanophenyl)acetamide
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CID 729975

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-cyclopropylacetamide?
The IUPAC name of N-(3-cyanophenyl)-2-cyclopropylacetamide (CID 56828279) is N-(3-cyanophenyl)-2-cyclopropylacetamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-cyclopropylacetamide?
The canonical SMILES for N-(3-cyanophenyl)-2-cyclopropylacetamide is N#Cc1cccc(NC(=O)CC2CC2)c1.
What is the InChIKey of N-(3-cyanophenyl)-2-cyclopropylacetamide?
The InChIKey is HMNTZFJVJYBRDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c13-8-10-2-1-3-11(6-10)14-12(15)7-9-4-5-9/h1-3,6,9H,4-5,7H2,(H,14,15).
What are the key properties of N-(3-cyanophenyl)-2-cyclopropylacetamide?
N-(3-cyanophenyl)-2-cyclopropylacetamide has a molecular weight of 200.24 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-cyclopropylacetamide is sourced from PubChem (CID 56828279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).