2-(2-chloro-4-cyanoanilino)-N-(oxan-4-yl)acetamide

C14H16ClN3O2 — CID 107807783

IUPAC2-(2-chloro-4-cyanoanilino)-N-(oxan-4-yl)acetamide
SMILESN#Cc1ccc(NCC(=O)NC2CCOCC2)c(Cl)c1
InChIInChI=1S/C14H16ClN3O2/c15-12-7-10(8-16)1-2-13(12)17-9-14(19)18-11-3-5-20-6-4-11/h1-2,7,11,17H,3-6,9H2,(H,18,19)
InChIKeyRCRJOSDDTJDRTG-UHFFFAOYSA-N
MW293.75 g/mol
LogP1.92
Rot. Bonds4

About 2-(2-chloro-4-cyanoanilino)-N-(oxan-4-yl)acetamide

2-(2-chloro-4-cyanoanilino)-N-(oxan-4-yl)acetamide (PubChem CID 107807783) has the molecular formula C14H16ClN3O2 and a molecular weight of 293.75 g/mol. Its IUPAC name is 2-(2-chloro-4-cyanoanilino)-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-cyanoanilino)-N-(oxan-4-yl)acetamide
PubChem CID107807783
Molecular FormulaC14H16ClN3O2
Molecular Weight293.75 g/mol
Exact Mass293.09
IUPAC Name2-(2-chloro-4-cyanoanilino)-N-(oxan-4-yl)acetamide
SMILESN#Cc1ccc(NCC(=O)NC2CCOCC2)c(Cl)c1
InChIInChI=1S/C14H16ClN3O2/c15-12-7-10(8-16)1-2-13(12)17-9-14(19)18-11-3-5-20-6-4-11/h1-2,7,11,17H,3-6,9H2,(H,18,19)
InChIKeyRCRJOSDDTJDRTG-UHFFFAOYSA-N
XLogP1.92
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dichloroanilino)-N-(oxan-4-yl)acetamide
CID 63100059
2-(2-bromo-4-cyanoanilino)-N-cycloheptylacetamide
CID 107789569
N-cyclopentyl-2-(2,4-dichloroanilino)acetamide
CID 28572342
2-(5-cyano-2-methylanilino)-N-cyclohexylacetamide
CID 62059710
2-(2-chloro-4-cyanoanilino)-N-cyclopropylpropanamide
CID 113407706
2-(4-bromo-2-chloroanilino)-N-cyclopentylacetamide
CID 43236944
2-(2-fluoro-4-methylanilino)-N-(oxan-4-yl)acetamide
CID 63099891
2-(2-chloro-4-cyanoanilino)-N-(2-methylphenyl)acetamide
CID 103792073
2-(naphthalen-1-ylamino)-N-(oxan-4-yl)acetamide
CID 63099020
2-(2-chloro-4-cyanoanilino)cyclobutane-1-carboxylic acid
CID 107808920
2-(4-bromo-2-cyanoanilino)-N-cyclopropylacetamide
CID 82707597
2-(5-chloro-2-cyanoanilino)-N-cycloheptylacetamide
CID 64919202

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-cyanoanilino)-N-(oxan-4-yl)acetamide?
The IUPAC name of 2-(2-chloro-4-cyanoanilino)-N-(oxan-4-yl)acetamide (CID 107807783) is 2-(2-chloro-4-cyanoanilino)-N-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-(2-chloro-4-cyanoanilino)-N-(oxan-4-yl)acetamide?
The canonical SMILES for 2-(2-chloro-4-cyanoanilino)-N-(oxan-4-yl)acetamide is N#Cc1ccc(NCC(=O)NC2CCOCC2)c(Cl)c1.
What is the InChIKey of 2-(2-chloro-4-cyanoanilino)-N-(oxan-4-yl)acetamide?
The InChIKey is RCRJOSDDTJDRTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2/c15-12-7-10(8-16)1-2-13(12)17-9-14(19)18-11-3-5-20-6-4-11/h1-2,7,11,17H,3-6,9H2,(H,18,19).
What are the key properties of 2-(2-chloro-4-cyanoanilino)-N-(oxan-4-yl)acetamide?
2-(2-chloro-4-cyanoanilino)-N-(oxan-4-yl)acetamide has a molecular weight of 293.75 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-cyanoanilino)-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 107807783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).