N-(cyclopropylmethyl)-2-[3-[(4-fluorophenyl)methyl-(prop-2-enylcarbamoyl)amino]phenyl]acetamide

C23H26FN3O2 — CID 46056385

IUPACN-(cyclopropylmethyl)-2-[3-[(4-fluorophenyl)methyl-(prop-2-enylcarbamoyl)amino]phenyl]acetamide
SMILESC=CCNC(=O)N(Cc1ccc(F)cc1)c1cccc(CC(=O)NCC2CC2)c1
InChIInChI=1S/C23H26FN3O2/c1-2-12-25-23(29)27(16-18-8-10-20(24)11-9-18)21-5-3-4-19(13-21)14-22(28)26-15-17-6-7-17/h2-5,8-11,13,17H,1,6-7,12,14-16H2,(H,25,29)(H,26,28)
InChIKeyPTKDOLJUVIKHGK-UHFFFAOYSA-N
MW395.48 g/mol
LogP3.80
Rot. Bonds9

About N-(cyclopropylmethyl)-2-[3-[(4-fluorophenyl)methyl-(prop-2-enylcarbamoyl)amino]phenyl]acetamide

N-(cyclopropylmethyl)-2-[3-[(4-fluorophenyl)methyl-(prop-2-enylcarbamoyl)amino]phenyl]acetamide (PubChem CID 46056385) has the molecular formula C23H26FN3O2 and a molecular weight of 395.48 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-[3-[(4-fluorophenyl)methyl-(prop-2-enylcarbamoyl)amino]phenyl]acetamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-[3-[(4-fluorophenyl)methyl-(prop-2-enylcarbamoyl)amino]phenyl]acetamide
PubChem CID46056385
Molecular FormulaC23H26FN3O2
Molecular Weight395.48 g/mol
Exact Mass395.20
IUPAC NameN-(cyclopropylmethyl)-2-[3-[(4-fluorophenyl)methyl-(prop-2-enylcarbamoyl)amino]phenyl]acetamide
SMILESC=CCNC(=O)N(Cc1ccc(F)cc1)c1cccc(CC(=O)NCC2CC2)c1
InChIInChI=1S/C23H26FN3O2/c1-2-12-25-23(29)27(16-18-8-10-20(24)11-9-18)21-5-3-4-19(13-21)14-22(28)26-15-17-6-7-17/h2-5,8-11,13,17H,1,6-7,12,14-16H2,(H,25,29)(H,26,28)
InChIKeyPTKDOLJUVIKHGK-UHFFFAOYSA-N
XLogP3.80
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[2-(cyclopropylmethylamino)-2-oxoethyl]phenyl]-N-[(4-fluorophenyl)methyl]benzamide
CID 46056800
N-[3-[2-(cyclopropylmethylamino)-2-oxoethyl]phenyl]-3-fluoro-N-[(4-fluorophenyl)methyl]benzamide
CID 46162461
N-(1,3-benzodioxol-5-ylmethyl)-2-[3-[(4-fluorophenyl)methyl-(prop-2-enylcarbamoyl)amino]phenyl]acetamide
CID 46056381
2-[3-[(4-fluorophenyl)methyl-(prop-2-enylcarbamoyl)amino]phenyl]-N-(furan-2-ylmethyl)acetamide
CID 42859183
N-[(4-methylphenyl)methyl]-N-[3-[2-oxo-2-(prop-2-enylamino)ethyl]phenyl]cyclopentanecarboxamide
CID 46057030
N-[(4-fluorophenyl)methyl]-N-[4-[2-oxo-2-(prop-2-enylamino)ethyl]phenyl]benzamide
CID 46046401
2-[3-[tert-butylcarbamoyl-[(4-fluorophenyl)methyl]amino]phenyl]-N-[(4-fluorophenyl)methyl]acetamide
CID 46056347
N-benzyl-N-[3-[2-oxo-2-(prop-2-enylamino)ethyl]phenyl]furan-2-carboxamide
CID 46056418
3-fluoro-N-[3-[2-(4-fluoroanilino)-2-oxoethyl]phenyl]-N-[(4-fluorophenyl)methyl]benzamide
CID 42859475
N-(4-fluorophenyl)-2-[3-[(4-fluorophenyl)methyl-(propan-2-ylcarbamoyl)amino]phenyl]acetamide
CID 46056352
(E)-N-[(4-fluorophenyl)methyl]-N-[3-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]phenyl]-3-phenylprop-2-enamide
CID 42859509
4-chloro-N-[3-[2-(4-fluoroanilino)-2-oxoethyl]phenyl]-N-[(4-fluorophenyl)methyl]benzamide
CID 46056889

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-[3-[(4-fluorophenyl)methyl-(prop-2-enylcarbamoyl)amino]phenyl]acetamide?
The IUPAC name of N-(cyclopropylmethyl)-2-[3-[(4-fluorophenyl)methyl-(prop-2-enylcarbamoyl)amino]phenyl]acetamide (CID 46056385) is N-(cyclopropylmethyl)-2-[3-[(4-fluorophenyl)methyl-(prop-2-enylcarbamoyl)amino]phenyl]acetamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-[3-[(4-fluorophenyl)methyl-(prop-2-enylcarbamoyl)amino]phenyl]acetamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-[3-[(4-fluorophenyl)methyl-(prop-2-enylcarbamoyl)amino]phenyl]acetamide is C=CCNC(=O)N(Cc1ccc(F)cc1)c1cccc(CC(=O)NCC2CC2)c1.
What is the InChIKey of N-(cyclopropylmethyl)-2-[3-[(4-fluorophenyl)methyl-(prop-2-enylcarbamoyl)amino]phenyl]acetamide?
The InChIKey is PTKDOLJUVIKHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O2/c1-2-12-25-23(29)27(16-18-8-10-20(24)11-9-18)21-5-3-4-19(13-21)14-22(28)26-15-17-6-7-17/h2-5,8-11,13,17H,1,6-7,12,14-16H2,(H,25,29)(H,26,28).
What are the key properties of N-(cyclopropylmethyl)-2-[3-[(4-fluorophenyl)methyl-(prop-2-enylcarbamoyl)amino]phenyl]acetamide?
N-(cyclopropylmethyl)-2-[3-[(4-fluorophenyl)methyl-(prop-2-enylcarbamoyl)amino]phenyl]acetamide has a molecular weight of 395.48 g/mol, XLogP of 3.80, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-[3-[(4-fluorophenyl)methyl-(prop-2-enylcarbamoyl)amino]phenyl]acetamide is sourced from PubChem (CID 46056385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).