butyl N-(3-amino-4-fluorophenyl)carbamate

C11H15FN2O2 — CID 150760184

IUPACbutyl N-(3-amino-4-fluorophenyl)carbamate
SMILESCCCCOC(=O)Nc1ccc(F)c(N)c1
InChIInChI=1S/C11H15FN2O2/c1-2-3-6-16-11(15)14-8-4-5-9(12)10(13)7-8/h4-5,7H,2-3,6,13H2,1H3,(H,14,15)
InChIKeyJXRCQLPGZSFKIW-UHFFFAOYSA-N
MW226.25 g/mol
LogP2.76
Rot. Bonds4

About butyl N-(3-amino-4-fluorophenyl)carbamate

butyl N-(3-amino-4-fluorophenyl)carbamate (PubChem CID 150760184) has the molecular formula C11H15FN2O2 and a molecular weight of 226.25 g/mol. Its IUPAC name is butyl N-(3-amino-4-fluorophenyl)carbamate.

Molecular Properties

Compound Namebutyl N-(3-amino-4-fluorophenyl)carbamate
PubChem CID150760184
Molecular FormulaC11H15FN2O2
Molecular Weight226.25 g/mol
Exact Mass226.11
IUPAC Namebutyl N-(3-amino-4-fluorophenyl)carbamate
SMILESCCCCOC(=O)Nc1ccc(F)c(N)c1
InChIInChI=1S/C11H15FN2O2/c1-2-3-6-16-11(15)14-8-4-5-9(12)10(13)7-8/h4-5,7H,2-3,6,13H2,1H3,(H,14,15)
InChIKeyJXRCQLPGZSFKIW-UHFFFAOYSA-N
XLogP2.76
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl N-(3-amino-4-fluorophenyl)carbamate
CID 22005857
butyl N-[4-[4-(butoxycarbonylamino)phenyl]phenyl]carbamate
CID 70896336
propyl N-(4-fluoro-3-methylphenyl)carbamate
CID 59576509
N-(3-amino-4-fluorophenyl)-3-hexoxypropanamide
CID 28995626
dodecyl N-[4-(dodecoxycarbonylamino)phenyl]carbamate
CID 102360236
pentyl N-(3,4,5-trifluorophenyl)carbamate
CID 91118977
4-[(4-butoxyphenyl)carbamoyloxy]butyl N-(4-butoxyphenyl)carbamate
CID 122381911
N-(3-amino-4-fluorophenyl)-2-(dibutylamino)acetamide
CID 28982408
N-(3-amino-4-fluorophenyl)-3-[butyl(methyl)amino]propanamide
CID 18071143
butyl N-(3-chloro-4-methoxyphenyl)carbamate
CID 19174402
N-(3-amino-4-fluorophenyl)-2-methylbutanamide
CID 16795322
3-(butoxycarbonylamino)benzoic acid
CID 70253445

Frequently Asked Questions

What is the IUPAC name of butyl N-(3-amino-4-fluorophenyl)carbamate?
The IUPAC name of butyl N-(3-amino-4-fluorophenyl)carbamate (CID 150760184) is butyl N-(3-amino-4-fluorophenyl)carbamate.
What is the SMILES notation for butyl N-(3-amino-4-fluorophenyl)carbamate?
The canonical SMILES for butyl N-(3-amino-4-fluorophenyl)carbamate is CCCCOC(=O)Nc1ccc(F)c(N)c1.
What is the InChIKey of butyl N-(3-amino-4-fluorophenyl)carbamate?
The InChIKey is JXRCQLPGZSFKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2/c1-2-3-6-16-11(15)14-8-4-5-9(12)10(13)7-8/h4-5,7H,2-3,6,13H2,1H3,(H,14,15).
What are the key properties of butyl N-(3-amino-4-fluorophenyl)carbamate?
butyl N-(3-amino-4-fluorophenyl)carbamate has a molecular weight of 226.25 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-(3-amino-4-fluorophenyl)carbamate is sourced from PubChem (CID 150760184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).