(E)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]but-2-enamide

C14H16FNO — CID 110477965

IUPAC(E)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]but-2-enamide
SMILESC/C=C/C(=O)NCC1(c2ccc(F)cc2)CC1
InChIInChI=1S/C14H16FNO/c1-2-3-13(17)16-10-14(8-9-14)11-4-6-12(15)7-5-11/h2-7H,8-10H2,1H3,(H,16,17)/b3-2+
InChIKeySVUGBFFZSVCIPJ-NSCUHMNNSA-N
MW233.29 g/mol
LogP2.55
Rot. Bonds4

About (E)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]but-2-enamide

(E)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]but-2-enamide (PubChem CID 110477965) has the molecular formula C14H16FNO and a molecular weight of 233.29 g/mol. Its IUPAC name is (E)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]but-2-enamide.

Molecular Properties

Compound Name(E)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]but-2-enamide
PubChem CID110477965
Molecular FormulaC14H16FNO
Molecular Weight233.29 g/mol
Exact Mass233.12
IUPAC Name(E)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]but-2-enamide
SMILESC/C=C/C(=O)NCC1(c2ccc(F)cc2)CC1
InChIInChI=1S/C14H16FNO/c1-2-3-13(17)16-10-14(8-9-14)11-4-6-12(15)7-5-11/h2-7H,8-10H2,1H3,(H,16,17)/b3-2+
InChIKeySVUGBFFZSVCIPJ-NSCUHMNNSA-N
XLogP2.55
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-[(1-phenylcyclobutyl)methyl]but-2-enamide
CID 110477964
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-methylpropanamide
CID 42266064
(E)-N-[1-(4-fluorophenyl)cyclopropyl]but-2-enamide
CID 110478088
N-[1-(4-fluorophenyl)cyclopropyl]but-2-enamide
CID 91550957
(2R)-2-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]propanamide
CID 119293598
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-(methylamino)acetamide;hydrochloride
CID 119731211
2-(dimethylamino)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]acetamide
CID 110479728
2-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]pentanamide
CID 119293600
3-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]propanamide
CID 110478929
3-chloro-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]propanamide
CID 110480778
ethyl 2-[[1-(4-fluorophenyl)cyclopropyl]methylamino]-2-oxoacetate
CID 110481833
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-methyl-3-(methylamino)propanamide
CID 119731221

Frequently Asked Questions

What is the IUPAC name of (E)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]but-2-enamide?
The IUPAC name of (E)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]but-2-enamide (CID 110477965) is (E)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]but-2-enamide.
What is the SMILES notation for (E)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]but-2-enamide?
The canonical SMILES for (E)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]but-2-enamide is C/C=C/C(=O)NCC1(c2ccc(F)cc2)CC1.
What is the InChIKey of (E)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]but-2-enamide?
The InChIKey is SVUGBFFZSVCIPJ-NSCUHMNNSA-N. The full InChI is InChI=1S/C14H16FNO/c1-2-3-13(17)16-10-14(8-9-14)11-4-6-12(15)7-5-11/h2-7H,8-10H2,1H3,(H,16,17)/b3-2+.
What are the key properties of (E)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]but-2-enamide?
(E)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]but-2-enamide has a molecular weight of 233.29 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]but-2-enamide is sourced from PubChem (CID 110477965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).