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

C7H6ClFN2O2 — CID 174670432

IUPAC(3-amino-5-chloro-2-fluorophenyl) carbamate
SMILESNC(=O)Oc1cc(Cl)cc(N)c1F
InChIInChI=1S/C7H6ClFN2O2/c8-3-1-4(10)6(9)5(2-3)13-7(11)12/h1-2H,10H2,(H2,11,12)
InChIKeyBGYNXCQRGUNGTH-UHFFFAOYSA-N
MW204.59 g/mol
LogP1.52
Rot. Bonds1

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

(3-amino-5-chloro-2-fluorophenyl) carbamate (PubChem CID 174670432) has the molecular formula C7H6ClFN2O2 and a molecular weight of 204.59 g/mol. Its IUPAC name is (3-amino-5-chloro-2-fluorophenyl) carbamate.

Molecular Properties

Compound Name(3-amino-5-chloro-2-fluorophenyl) carbamate
PubChem CID174670432
Molecular FormulaC7H6ClFN2O2
Molecular Weight204.59 g/mol
Exact Mass204.01
IUPAC Name(3-amino-5-chloro-2-fluorophenyl) carbamate
SMILESNC(=O)Oc1cc(Cl)cc(N)c1F
InChIInChI=1S/C7H6ClFN2O2/c8-3-1-4(10)6(9)5(2-3)13-7(11)12/h1-2H,10H2,(H2,11,12)
InChIKeyBGYNXCQRGUNGTH-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

(3-amino-6-chloro-1,2,4-benzotriazin-8-yl) carbamate
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(2-amino-4-chloro-3-fluorophenyl) carbamate
CID 150880588
(5-amino-2-chloro-3-fluorophenyl) carbamate
CID 150779474
(2-bromo-5-chlorophenyl) carbamate
CID 174508201
(4-chloro-2-methoxyphenyl) carbamate
CID 130017787
4-chloro-2,6-difluorobenzamide
CID 22478130
[3-chloro-5-(difluoromethoxy)phenyl] carbamate
CID 174190375
(5-amino-2,3,4-trifluorophenyl) ethyl carbonate
CID 86749657
(2,5-dichloro-4-methylphenyl) carbamate
CID 175535955
5-chloro-2-fluoro-3-methylsulfanylaniline
CID 83410374
[2-(chloromethyl)-4,5-difluorophenyl] carbamate
CID 151695437
[5-(difluoromethoxy)-2,4-difluorophenyl] carbamate
CID 175535923

Frequently Asked Questions

What is the IUPAC name of (3-amino-5-chloro-2-fluorophenyl) carbamate?
The IUPAC name of (3-amino-5-chloro-2-fluorophenyl) carbamate (CID 174670432) is (3-amino-5-chloro-2-fluorophenyl) carbamate.
What is the SMILES notation for (3-amino-5-chloro-2-fluorophenyl) carbamate?
The canonical SMILES for (3-amino-5-chloro-2-fluorophenyl) carbamate is NC(=O)Oc1cc(Cl)cc(N)c1F.
What is the InChIKey of (3-amino-5-chloro-2-fluorophenyl) carbamate?
The InChIKey is BGYNXCQRGUNGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClFN2O2/c8-3-1-4(10)6(9)5(2-3)13-7(11)12/h1-2H,10H2,(H2,11,12).
What are the key properties of (3-amino-5-chloro-2-fluorophenyl) carbamate?
(3-amino-5-chloro-2-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 (3-amino-5-chloro-2-fluorophenyl) carbamate is sourced from PubChem (CID 174670432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).