2-(4-chlorophenyl)-N-[cyano(cyclopropyl)methyl]acetamide

C13H13ClN2O — CID 63822496

IUPAC2-(4-chlorophenyl)-N-[cyano(cyclopropyl)methyl]acetamide
SMILESN#CC(NC(=O)Cc1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C13H13ClN2O/c14-11-5-1-9(2-6-11)7-13(17)16-12(8-15)10-3-4-10/h1-2,5-6,10,12H,3-4,7H2,(H,16,17)
InChIKeyLEEPKBDPNVAAEG-UHFFFAOYSA-N
MW248.71 g/mol
LogP2.30
Rot. Bonds4

About 2-(4-chlorophenyl)-N-[cyano(cyclopropyl)methyl]acetamide

2-(4-chlorophenyl)-N-[cyano(cyclopropyl)methyl]acetamide (PubChem CID 63822496) has the molecular formula C13H13ClN2O and a molecular weight of 248.71 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[cyano(cyclopropyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[cyano(cyclopropyl)methyl]acetamide
PubChem CID63822496
Molecular FormulaC13H13ClN2O
Molecular Weight248.71 g/mol
Exact Mass248.07
IUPAC Name2-(4-chlorophenyl)-N-[cyano(cyclopropyl)methyl]acetamide
SMILESN#CC(NC(=O)Cc1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C13H13ClN2O/c14-11-5-1-9(2-6-11)7-13(17)16-12(8-15)10-3-4-10/h1-2,5-6,10,12H,3-4,7H2,(H,16,17)
InChIKeyLEEPKBDPNVAAEG-UHFFFAOYSA-N
XLogP2.30
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.71
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[cyano(cyclopropyl)methyl]-2-(4-methylphenyl)acetamide
CID 63821795
N-[cyano(cyclopropyl)methyl]-2-(2-fluorophenyl)acetamide
CID 63822321
5-chloro-N-[cyano(cyclopropyl)methyl]-2-iodobenzamide
CID 113233627
2,4-dichloro-N-[2-[[cyano(cyclopropyl)methyl]amino]-2-oxoethyl]benzamide
CID 86796965
2-(4-chlorophenyl)-N-[(1S)-1-cyano-3-methylbutyl]acetamide
CID 94694538
2-(4-aminophenyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]acetamide
CID 119689371
4-chloro-N-[cyano(cyclohexyl)methyl]-2-fluorobenzamide
CID 61123792
2-(4-chlorophenyl)-N-(1-cyanopropan-2-yl)acetamide
CID 55209733
N-[cyano(cyclopropyl)methyl]-3,4-difluorobenzamide
CID 63821791
2-chloro-N-[cyano(cyclopropyl)methyl]-4-fluorobenzamide
CID 63821612
2-(4-chloroanilino)-2-cyclopropylacetonitrile
CID 61310144
N-[cyano(cyclopropyl)methyl]benzamide
CID 54594318

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[cyano(cyclopropyl)methyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[cyano(cyclopropyl)methyl]acetamide (CID 63822496) is 2-(4-chlorophenyl)-N-[cyano(cyclopropyl)methyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[cyano(cyclopropyl)methyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[cyano(cyclopropyl)methyl]acetamide is N#CC(NC(=O)Cc1ccc(Cl)cc1)C1CC1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[cyano(cyclopropyl)methyl]acetamide?
The InChIKey is LEEPKBDPNVAAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O/c14-11-5-1-9(2-6-11)7-13(17)16-12(8-15)10-3-4-10/h1-2,5-6,10,12H,3-4,7H2,(H,16,17).
What are the key properties of 2-(4-chlorophenyl)-N-[cyano(cyclopropyl)methyl]acetamide?
2-(4-chlorophenyl)-N-[cyano(cyclopropyl)methyl]acetamide has a molecular weight of 248.71 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[cyano(cyclopropyl)methyl]acetamide is sourced from PubChem (CID 63822496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).