(5-amino-2-chloro-3-fluorophenyl) carbamate

C7H6ClFN2O2 — CID 150779474

IUPAC(5-amino-2-chloro-3-fluorophenyl) carbamate
SMILESNC(=O)Oc1cc(N)cc(F)c1Cl
InChIInChI=1S/C7H6ClFN2O2/c8-6-4(9)1-3(10)2-5(6)13-7(11)12/h1-2H,10H2,(H2,11,12)
InChIKeyKBOLDYAQHWHSFE-UHFFFAOYSA-N
MW204.59 g/mol
LogP1.52
Rot. Bonds1

About (5-amino-2-chloro-3-fluorophenyl) carbamate

(5-amino-2-chloro-3-fluorophenyl) carbamate (PubChem CID 150779474) has the molecular formula C7H6ClFN2O2 and a molecular weight of 204.59 g/mol. Its IUPAC name is (5-amino-2-chloro-3-fluorophenyl) carbamate.

Molecular Properties

Compound Name(5-amino-2-chloro-3-fluorophenyl) carbamate
PubChem CID150779474
Molecular FormulaC7H6ClFN2O2
Molecular Weight204.59 g/mol
Exact Mass204.01
IUPAC Name(5-amino-2-chloro-3-fluorophenyl) carbamate
SMILESNC(=O)Oc1cc(N)cc(F)c1Cl
InChIInChI=1S/C7H6ClFN2O2/c8-6-4(9)1-3(10)2-5(6)13-7(11)12/h1-2H,10H2,(H2,11,12)
InChIKeyKBOLDYAQHWHSFE-UHFFFAOYSA-N
XLogP1.52
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.59
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(5-amino-2-chloro-3-fluorophenyl)benzamide
CID 145170413
(3-amino-5-chloro-2-fluorophenyl) carbamate
CID 174670432
(2-bromo-5-chlorophenyl) carbamate
CID 174508201
3-bromo-4-chloro-5-fluoroaniline
CID 131585188
(2-amino-4-chloro-3-fluorophenyl) carbamate
CID 150880588
[2-(chloromethyl)-4,5-difluorophenyl] carbamate
CID 151695437
2,5-dichloro-3-fluorobenzamide
CID 121228309
[5-(4-aminobenzoyl)-2-fluorophenyl] carbamate
CID 150807360
(4-chloro-2-methoxyphenyl) carbamate
CID 130017787
carbamoyl 4-amino-2-fluorobenzoate
CID 88539668
1-(4-amino-2-fluoro-6-methoxyphenyl)ethanone
CID 171018286
(2,5-dichloro-4-methylphenyl) carbamate
CID 175535955

Frequently Asked Questions

What is the IUPAC name of (5-amino-2-chloro-3-fluorophenyl) carbamate?
The IUPAC name of (5-amino-2-chloro-3-fluorophenyl) carbamate (CID 150779474) is (5-amino-2-chloro-3-fluorophenyl) carbamate.
What is the SMILES notation for (5-amino-2-chloro-3-fluorophenyl) carbamate?
The canonical SMILES for (5-amino-2-chloro-3-fluorophenyl) carbamate is NC(=O)Oc1cc(N)cc(F)c1Cl.
What is the InChIKey of (5-amino-2-chloro-3-fluorophenyl) carbamate?
The InChIKey is KBOLDYAQHWHSFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClFN2O2/c8-6-4(9)1-3(10)2-5(6)13-7(11)12/h1-2H,10H2,(H2,11,12).
What are the key properties of (5-amino-2-chloro-3-fluorophenyl) carbamate?
(5-amino-2-chloro-3-fluorophenyl) carbamate has a molecular weight of 204.59 g/mol, XLogP of 1.52, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2-chloro-3-fluorophenyl) carbamate is sourced from PubChem (CID 150779474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).