5-phenylpentyl N-[(4-fluorobenzoyl)amino]carbamate

C19H21FN2O3 — CID 6735143

IUPAC5-phenylpentyl N-[(4-fluorobenzoyl)amino]carbamate
SMILESO=C(NNC(=O)c1ccc(F)cc1)OCCCCCc1ccccc1
InChIInChI=1S/C19H21FN2O3/c20-17-12-10-16(11-13-17)18(23)21-22-19(24)25-14-6-2-5-9-15-7-3-1-4-8-15/h1,3-4,7-8,10-13H,2,5-6,9,14H2,(H,21,23)(H,22,24)
InChIKeyPSSCHTQMAXSVDR-UHFFFAOYSA-N
MW344.39 g/mol
LogP3.61
Rot. Bonds7

About 5-phenylpentyl N-[(4-fluorobenzoyl)amino]carbamate

5-phenylpentyl N-[(4-fluorobenzoyl)amino]carbamate (PubChem CID 6735143) has the molecular formula C19H21FN2O3 and a molecular weight of 344.39 g/mol. Its IUPAC name is 5-phenylpentyl N-[(4-fluorobenzoyl)amino]carbamate.

Molecular Properties

Compound Name5-phenylpentyl N-[(4-fluorobenzoyl)amino]carbamate
PubChem CID6735143
Molecular FormulaC19H21FN2O3
Molecular Weight344.39 g/mol
Exact Mass344.15
IUPAC Name5-phenylpentyl N-[(4-fluorobenzoyl)amino]carbamate
SMILESO=C(NNC(=O)c1ccc(F)cc1)OCCCCCc1ccccc1
InChIInChI=1S/C19H21FN2O3/c20-17-12-10-16(11-13-17)18(23)21-22-19(24)25-14-6-2-5-9-15-7-3-1-4-8-15/h1,3-4,7-8,10-13H,2,5-6,9,14H2,(H,21,23)(H,22,24)
InChIKeyPSSCHTQMAXSVDR-UHFFFAOYSA-N
XLogP3.61
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-hydroxy-4-(4-phenylbutyl)benzohydrazide
CID 89470701
N'-(4-fluorobenzoyl)-2-(2-phenylethyl)benzohydrazide
CID 55333894
8-phenyloctyl carbamate
CID 67180735
2-phenylethyl N-(4-phenylbutyl)carbamate
CID 23058488
4-(4-phenylbutyl)-N-phosphanyloxybenzamide
CID 22986824
4-fluoro-N'-(4-phenoxybutanoyl)benzohydrazide
CID 7732785
decyl N-(4-phenylbutyl)carbamate
CID 101211373
4-fluoro-N-[1-(3-phenylpropyl)piperidin-4-yl]benzamide
CID 34799426
5-phenylpentyl N-[(4-chlorophenyl)methyl]carbamate
CID 6711074
5-phenylpentyl N-[[2-(4,5-dichloroimidazol-1-yl)acetyl]amino]carbamate
CID 6736639
4-(5-phenylpentoxy)benzamide
CID 142267536
4-phenylbutyl N-(2,2-diphenylacetyl)carbamate
CID 54427908

Frequently Asked Questions

What is the IUPAC name of 5-phenylpentyl N-[(4-fluorobenzoyl)amino]carbamate?
The IUPAC name of 5-phenylpentyl N-[(4-fluorobenzoyl)amino]carbamate (CID 6735143) is 5-phenylpentyl N-[(4-fluorobenzoyl)amino]carbamate.
What is the SMILES notation for 5-phenylpentyl N-[(4-fluorobenzoyl)amino]carbamate?
The canonical SMILES for 5-phenylpentyl N-[(4-fluorobenzoyl)amino]carbamate is O=C(NNC(=O)c1ccc(F)cc1)OCCCCCc1ccccc1.
What is the InChIKey of 5-phenylpentyl N-[(4-fluorobenzoyl)amino]carbamate?
The InChIKey is PSSCHTQMAXSVDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3/c20-17-12-10-16(11-13-17)18(23)21-22-19(24)25-14-6-2-5-9-15-7-3-1-4-8-15/h1,3-4,7-8,10-13H,2,5-6,9,14H2,(H,21,23)(H,22,24).
What are the key properties of 5-phenylpentyl N-[(4-fluorobenzoyl)amino]carbamate?
5-phenylpentyl N-[(4-fluorobenzoyl)amino]carbamate has a molecular weight of 344.39 g/mol, XLogP of 3.61, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenylpentyl N-[(4-fluorobenzoyl)amino]carbamate is sourced from PubChem (CID 6735143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).