4-(4-cyano-2-fluoroanilino)-N-cyclopropylbutanamide

C14H16FN3O — CID 78916011

IUPAC4-(4-cyano-2-fluoroanilino)-N-cyclopropylbutanamide
SMILESN#Cc1ccc(NCCCC(=O)NC2CC2)c(F)c1
InChIInChI=1S/C14H16FN3O/c15-12-8-10(9-16)3-6-13(12)17-7-1-2-14(19)18-11-4-5-11/h3,6,8,11,17H,1-2,4-5,7H2,(H,18,19)
InChIKeyBYWBIPXOLNVVMZ-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.17
Rot. Bonds6

About 4-(4-cyano-2-fluoroanilino)-N-cyclopropylbutanamide

4-(4-cyano-2-fluoroanilino)-N-cyclopropylbutanamide (PubChem CID 78916011) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is 4-(4-cyano-2-fluoroanilino)-N-cyclopropylbutanamide.

Molecular Properties

Compound Name4-(4-cyano-2-fluoroanilino)-N-cyclopropylbutanamide
PubChem CID78916011
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC Name4-(4-cyano-2-fluoroanilino)-N-cyclopropylbutanamide
SMILESN#Cc1ccc(NCCCC(=O)NC2CC2)c(F)c1
InChIInChI=1S/C14H16FN3O/c15-12-8-10(9-16)3-6-13(12)17-7-1-2-14(19)18-11-4-5-11/h3,6,8,11,17H,1-2,4-5,7H2,(H,18,19)
InChIKeyBYWBIPXOLNVVMZ-UHFFFAOYSA-N
XLogP2.17
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-4-[3-(2-hydroxycyclohexyl)propylamino]benzonitrile
CID 133384912
4-(5-acetyl-2-cyanoanilino)-N-cyclopropylbutanamide
CID 133456217
4-(3-bromo-2-cyanoanilino)-N-cyclopropylbutanamide
CID 114881181
1-(4-cyano-2-fluorophenyl)-3-cyclobutylurea
CID 113268765
4-[(4-cyanophenyl)sulfonylamino]-N-cyclopropylbutanamide
CID 112727913
4-[(3-cyanophenyl)sulfonylamino]-N-cyclopropylbutanamide
CID 112727914
4-(4-amino-2-bromoanilino)-N-cyclopropylbutanamide
CID 79394565
4-[2-amino-4-(trifluoromethyl)anilino]-N-cyclopropylbutanamide
CID 79378514
N-butan-2-yl-3-(4-cyano-2-fluoroanilino)propanamide
CID 61021223
4-(2-amino-4-fluoro-5-methoxyanilino)-N-cyclopropylbutanamide
CID 79394408
N-cyclopropyl-4-(3,4-diaminoanilino)butanamide
CID 106750979
4-[3-(diethylamino)propylamino]-3-fluorobenzonitrile
CID 43657094

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyano-2-fluoroanilino)-N-cyclopropylbutanamide?
The IUPAC name of 4-(4-cyano-2-fluoroanilino)-N-cyclopropylbutanamide (CID 78916011) is 4-(4-cyano-2-fluoroanilino)-N-cyclopropylbutanamide.
What is the SMILES notation for 4-(4-cyano-2-fluoroanilino)-N-cyclopropylbutanamide?
The canonical SMILES for 4-(4-cyano-2-fluoroanilino)-N-cyclopropylbutanamide is N#Cc1ccc(NCCCC(=O)NC2CC2)c(F)c1.
What is the InChIKey of 4-(4-cyano-2-fluoroanilino)-N-cyclopropylbutanamide?
The InChIKey is BYWBIPXOLNVVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c15-12-8-10(9-16)3-6-13(12)17-7-1-2-14(19)18-11-4-5-11/h3,6,8,11,17H,1-2,4-5,7H2,(H,18,19).
What are the key properties of 4-(4-cyano-2-fluoroanilino)-N-cyclopropylbutanamide?
4-(4-cyano-2-fluoroanilino)-N-cyclopropylbutanamide has a molecular weight of 261.30 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyano-2-fluoroanilino)-N-cyclopropylbutanamide is sourced from PubChem (CID 78916011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).