[5-(4-aminobenzoyl)-2-fluorophenyl] carbamate

C14H11FN2O3 — CID 150807360

IUPAC[5-(4-aminobenzoyl)-2-fluorophenyl] carbamate
SMILESNC(=O)Oc1cc(C(=O)c2ccc(N)cc2)ccc1F
InChIInChI=1S/C14H11FN2O3/c15-11-6-3-9(7-12(11)20-14(17)19)13(18)8-1-4-10(16)5-2-8/h1-7H,16H2,(H2,17,19)
InChIKeyKHDQFEGYGXICMT-UHFFFAOYSA-N
MW274.25 g/mol
LogP2.10
Rot. Bonds3

About [5-(4-aminobenzoyl)-2-fluorophenyl] carbamate

[5-(4-aminobenzoyl)-2-fluorophenyl] carbamate (PubChem CID 150807360) has the molecular formula C14H11FN2O3 and a molecular weight of 274.25 g/mol. Its IUPAC name is [5-(4-aminobenzoyl)-2-fluorophenyl] carbamate.

Molecular Properties

Compound Name[5-(4-aminobenzoyl)-2-fluorophenyl] carbamate
PubChem CID150807360
Molecular FormulaC14H11FN2O3
Molecular Weight274.25 g/mol
Exact Mass274.08
IUPAC Name[5-(4-aminobenzoyl)-2-fluorophenyl] carbamate
SMILESNC(=O)Oc1cc(C(=O)c2ccc(N)cc2)ccc1F
InChIInChI=1S/C14H11FN2O3/c15-11-6-3-9(7-12(11)20-14(17)19)13(18)8-1-4-10(16)5-2-8/h1-7H,16H2,(H2,17,19)
InChIKeyKHDQFEGYGXICMT-UHFFFAOYSA-N
XLogP2.10
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.25
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-fluoro-5-propan-2-ylphenyl) carbamate
CID 175535945
bis(4-fluoro-3-phenoxyphenyl)methanone
CID 67872405
(3-aminophenyl)-(4-aminophenyl)methanone;bis(4-aminophenyl)methanone
CID 160593593
(3-aminophenyl)-(4-aminophenyl)methanone;bis(3-aminophenyl)methanone
CID 69316817
[4-[4-(4-aminobenzoyl)phenyl]phenyl]-(4-aminophenyl)methanone
CID 14344374
(3-amino-4-fluorophenyl)-phenylmethanone
CID 18962631
[5-[5-[(4-chlorophenyl)methylamino]pyridine-2-carbonyl]-2-fluorophenyl] carbamate
CID 151834558
[4-[4-(4-aminophenoxy)phenoxy]phenyl]-(4-aminophenyl)methanone
CID 58298849
(4-fluoro-3-methoxyphenyl)-(4-methoxy-3-methylphenyl)methanone
CID 81283370
(4-aminophenyl)-phenylmethanone
CID 14346
(4-aminophenyl)-[3-tert-butyl-4-(2-methylpropoxy)phenyl]methanone
CID 82263950
(4-aminophenyl)-[3-(trifluoromethoxy)phenyl]methanone
CID 116548826

Frequently Asked Questions

What is the IUPAC name of [5-(4-aminobenzoyl)-2-fluorophenyl] carbamate?
The IUPAC name of [5-(4-aminobenzoyl)-2-fluorophenyl] carbamate (CID 150807360) is [5-(4-aminobenzoyl)-2-fluorophenyl] carbamate.
What is the SMILES notation for [5-(4-aminobenzoyl)-2-fluorophenyl] carbamate?
The canonical SMILES for [5-(4-aminobenzoyl)-2-fluorophenyl] carbamate is NC(=O)Oc1cc(C(=O)c2ccc(N)cc2)ccc1F.
What is the InChIKey of [5-(4-aminobenzoyl)-2-fluorophenyl] carbamate?
The InChIKey is KHDQFEGYGXICMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O3/c15-11-6-3-9(7-12(11)20-14(17)19)13(18)8-1-4-10(16)5-2-8/h1-7H,16H2,(H2,17,19).
What are the key properties of [5-(4-aminobenzoyl)-2-fluorophenyl] carbamate?
[5-(4-aminobenzoyl)-2-fluorophenyl] carbamate has a molecular weight of 274.25 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-aminobenzoyl)-2-fluorophenyl] carbamate is sourced from PubChem (CID 150807360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).