N-(4-cyclobutyloxy-3-fluorophenyl)-2-(prop-2-enoylamino)benzamide

C20H19FN2O3 — CID 166420649

IUPACN-(4-cyclobutyloxy-3-fluorophenyl)-2-(prop-2-enoylamino)benzamide
SMILESC=CC(=O)Nc1ccccc1C(=O)Nc1ccc(OC2CCC2)c(F)c1
InChIInChI=1S/C20H19FN2O3/c1-2-19(24)23-17-9-4-3-8-15(17)20(25)22-13-10-11-18(16(21)12-13)26-14-6-5-7-14/h2-4,8-12,14H,1,5-7H2,(H,22,25)(H,23,24)
InChIKeyMYVFNKKEPNZTNA-UHFFFAOYSA-N
MW354.38 g/mol
LogP4.13
Rot. Bonds6

About N-(4-cyclobutyloxy-3-fluorophenyl)-2-(prop-2-enoylamino)benzamide

N-(4-cyclobutyloxy-3-fluorophenyl)-2-(prop-2-enoylamino)benzamide (PubChem CID 166420649) has the molecular formula C20H19FN2O3 and a molecular weight of 354.38 g/mol. Its IUPAC name is N-(4-cyclobutyloxy-3-fluorophenyl)-2-(prop-2-enoylamino)benzamide.

Molecular Properties

Compound NameN-(4-cyclobutyloxy-3-fluorophenyl)-2-(prop-2-enoylamino)benzamide
PubChem CID166420649
Molecular FormulaC20H19FN2O3
Molecular Weight354.38 g/mol
Exact Mass354.14
IUPAC NameN-(4-cyclobutyloxy-3-fluorophenyl)-2-(prop-2-enoylamino)benzamide
SMILESC=CC(=O)Nc1ccccc1C(=O)Nc1ccc(OC2CCC2)c(F)c1
InChIInChI=1S/C20H19FN2O3/c1-2-19(24)23-17-9-4-3-8-15(17)20(25)22-13-10-11-18(16(21)12-13)26-14-6-5-7-14/h2-4,8-12,14H,1,5-7H2,(H,22,25)(H,23,24)
InChIKeyMYVFNKKEPNZTNA-UHFFFAOYSA-N
XLogP4.13
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-cyclobutyloxy-3-fluorophenyl)-3-(1H-pyrazol-4-yl)urea
CID 122145730
5-[(4-cyclobutyloxy-3-fluorophenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120689111
N-(4-cyclopentyloxy-3-fluorophenyl)pyrrolidine-2-carboxamide
CID 119336640
7-amino-N-(4-cyclobutyloxy-3-fluorophenyl)heptanamide;hydrochloride
CID 119811101
7-amino-N-(4-cyclopentyloxy-3-fluorophenyl)heptanamide
CID 119806500
(2S)-2-amino-N-(4-cyclopentyloxy-3-fluorophenyl)propanamide
CID 119336628
methyl 2-[(3-cyclopentyloxy-4-methoxyphenyl)carbamoyl]benzoate
CID 19428226
dimethyl (E)-2-(4-cyclopentyloxy-3-fluoroanilino)but-2-enedioate
CID 168568895
3-amino-N-(4-cyclobutyloxy-3-fluorophenyl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119811119
2-amino-N-(4-cyclopentyloxy-3-fluorophenyl)-2-phenylpropanamide
CID 120593524
5-[(4-cyclobutyloxy-3-fluorophenyl)carbamoyl]-2-ethylfuran-3-carboxylic acid
CID 120822444
N-[3-fluoro-4-(4-fluorophenoxy)phenyl]prop-2-enamide
CID 167449680

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclobutyloxy-3-fluorophenyl)-2-(prop-2-enoylamino)benzamide?
The IUPAC name of N-(4-cyclobutyloxy-3-fluorophenyl)-2-(prop-2-enoylamino)benzamide (CID 166420649) is N-(4-cyclobutyloxy-3-fluorophenyl)-2-(prop-2-enoylamino)benzamide.
What is the SMILES notation for N-(4-cyclobutyloxy-3-fluorophenyl)-2-(prop-2-enoylamino)benzamide?
The canonical SMILES for N-(4-cyclobutyloxy-3-fluorophenyl)-2-(prop-2-enoylamino)benzamide is C=CC(=O)Nc1ccccc1C(=O)Nc1ccc(OC2CCC2)c(F)c1.
What is the InChIKey of N-(4-cyclobutyloxy-3-fluorophenyl)-2-(prop-2-enoylamino)benzamide?
The InChIKey is MYVFNKKEPNZTNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O3/c1-2-19(24)23-17-9-4-3-8-15(17)20(25)22-13-10-11-18(16(21)12-13)26-14-6-5-7-14/h2-4,8-12,14H,1,5-7H2,(H,22,25)(H,23,24).
What are the key properties of N-(4-cyclobutyloxy-3-fluorophenyl)-2-(prop-2-enoylamino)benzamide?
N-(4-cyclobutyloxy-3-fluorophenyl)-2-(prop-2-enoylamino)benzamide has a molecular weight of 354.38 g/mol, XLogP of 4.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclobutyloxy-3-fluorophenyl)-2-(prop-2-enoylamino)benzamide is sourced from PubChem (CID 166420649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).