N-[1-[4-[(4-fluorobenzoyl)amino]phenyl]ethyl]oxirane-2-carboxamide

C18H17FN2O3 — CID 154796734

IUPACN-[1-[4-[(4-fluorobenzoyl)amino]phenyl]ethyl]oxirane-2-carboxamide
SMILESCC(NC(=O)C1CO1)c1ccc(NC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C18H17FN2O3/c1-11(20-18(23)16-10-24-16)12-4-8-15(9-5-12)21-17(22)13-2-6-14(19)7-3-13/h2-9,11,16H,10H2,1H3,(H,20,23)(H,21,22)
InChIKeyDVXIXDJQTPFDFI-UHFFFAOYSA-N
MW328.34 g/mol
LogP2.65
Rot. Bonds5

About N-[1-[4-[(4-fluorobenzoyl)amino]phenyl]ethyl]oxirane-2-carboxamide

N-[1-[4-[(4-fluorobenzoyl)amino]phenyl]ethyl]oxirane-2-carboxamide (PubChem CID 154796734) has the molecular formula C18H17FN2O3 and a molecular weight of 328.34 g/mol. Its IUPAC name is N-[1-[4-[(4-fluorobenzoyl)amino]phenyl]ethyl]oxirane-2-carboxamide.

Molecular Properties

Compound NameN-[1-[4-[(4-fluorobenzoyl)amino]phenyl]ethyl]oxirane-2-carboxamide
PubChem CID154796734
Molecular FormulaC18H17FN2O3
Molecular Weight328.34 g/mol
Exact Mass328.12
IUPAC NameN-[1-[4-[(4-fluorobenzoyl)amino]phenyl]ethyl]oxirane-2-carboxamide
SMILESCC(NC(=O)C1CO1)c1ccc(NC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C18H17FN2O3/c1-11(20-18(23)16-10-24-16)12-4-8-15(9-5-12)21-17(22)13-2-6-14(19)7-3-13/h2-9,11,16H,10H2,1H3,(H,20,23)(H,21,22)
InChIKeyDVXIXDJQTPFDFI-UHFFFAOYSA-N
XLogP2.65
TPSA70.73 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-[1-[4-[(4-fluorobenzoyl)amino]phenyl]ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 119182088
N-[1-[4-[(4-fluorobenzoyl)amino]phenyl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 60537972
2-fluoro-N-[1-[4-[(4-fluorobenzoyl)amino]phenyl]ethyl]benzamide
CID 55916551
N-[4-[1-[[2-(cyclopropylmethylamino)acetyl]amino]ethyl]phenyl]-4-fluorobenzamide;hydrochloride
CID 119744056
4-fluoro-N-[4-[1-[[2-methyl-3-(methylamino)propanoyl]amino]ethyl]phenyl]benzamide
CID 119744059
4-(carbamoylamino)-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide
CID 2454749
4-chloro-N-[4-[1-(4-fluorophenyl)ethylcarbamothioylamino]phenyl]benzamide
CID 15955648
N-[1-(4-fluorophenyl)ethyl]-4-(propanoylamino)benzamide
CID 175162344
2-chloro-4-fluoro-N-[1-[4-[(4-fluorobenzoyl)amino]phenyl]ethyl]benzamide
CID 55915530
N-[4-[1-[(1-aminocyclohexanecarbonyl)amino]ethyl]phenyl]-4-fluorobenzamide;hydrochloride
CID 119300704
N-[4-[1-[[(2S,3R)-3-(cyclopentylamino)-2-hydroxybutanoyl]amino]ethyl]phenyl]-4-fluorobenzamide
CID 146094037
N-[1-(4-fluorophenyl)ethyl]-4-(prop-2-enoylamino)benzamide
CID 175156198

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[(4-fluorobenzoyl)amino]phenyl]ethyl]oxirane-2-carboxamide?
The IUPAC name of N-[1-[4-[(4-fluorobenzoyl)amino]phenyl]ethyl]oxirane-2-carboxamide (CID 154796734) is N-[1-[4-[(4-fluorobenzoyl)amino]phenyl]ethyl]oxirane-2-carboxamide.
What is the SMILES notation for N-[1-[4-[(4-fluorobenzoyl)amino]phenyl]ethyl]oxirane-2-carboxamide?
The canonical SMILES for N-[1-[4-[(4-fluorobenzoyl)amino]phenyl]ethyl]oxirane-2-carboxamide is CC(NC(=O)C1CO1)c1ccc(NC(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of N-[1-[4-[(4-fluorobenzoyl)amino]phenyl]ethyl]oxirane-2-carboxamide?
The InChIKey is DVXIXDJQTPFDFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O3/c1-11(20-18(23)16-10-24-16)12-4-8-15(9-5-12)21-17(22)13-2-6-14(19)7-3-13/h2-9,11,16H,10H2,1H3,(H,20,23)(H,21,22).
What are the key properties of N-[1-[4-[(4-fluorobenzoyl)amino]phenyl]ethyl]oxirane-2-carboxamide?
N-[1-[4-[(4-fluorobenzoyl)amino]phenyl]ethyl]oxirane-2-carboxamide has a molecular weight of 328.34 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[(4-fluorobenzoyl)amino]phenyl]ethyl]oxirane-2-carboxamide is sourced from PubChem (CID 154796734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).