ethyl N-[6-(3-chloro-4-fluoroanilino)-3-pyridinyl]carbamate

C14H13ClFN3O2 — CID 113019009

IUPACethyl N-[6-(3-chloro-4-fluoroanilino)-3-pyridinyl]carbamate
SMILESCCOC(=O)Nc1ccc(Nc2ccc(F)c(Cl)c2)nc1
InChIInChI=1S/C14H13ClFN3O2/c1-2-21-14(20)19-10-4-6-13(17-8-10)18-9-3-5-12(16)11(15)7-9/h3-8H,2H2,1H3,(H,17,18)(H,19,20)
InChIKeyXDVKUMYOJMIXJX-UHFFFAOYSA-N
MW309.73 g/mol
LogP4.19
Rot. Bonds4

About ethyl N-[6-(3-chloro-4-fluoroanilino)-3-pyridinyl]carbamate

ethyl N-[6-(3-chloro-4-fluoroanilino)-3-pyridinyl]carbamate (PubChem CID 113019009) has the molecular formula C14H13ClFN3O2 and a molecular weight of 309.73 g/mol. Its IUPAC name is ethyl N-[6-(3-chloro-4-fluoroanilino)-3-pyridinyl]carbamate.

Molecular Properties

Compound Nameethyl N-[6-(3-chloro-4-fluoroanilino)-3-pyridinyl]carbamate
PubChem CID113019009
Molecular FormulaC14H13ClFN3O2
Molecular Weight309.73 g/mol
Exact Mass309.07
IUPAC Nameethyl N-[6-(3-chloro-4-fluoroanilino)-3-pyridinyl]carbamate
SMILESCCOC(=O)Nc1ccc(Nc2ccc(F)c(Cl)c2)nc1
InChIInChI=1S/C14H13ClFN3O2/c1-2-21-14(20)19-10-4-6-13(17-8-10)18-9-3-5-12(16)11(15)7-9/h3-8H,2H2,1H3,(H,17,18)(H,19,20)
InChIKeyXDVKUMYOJMIXJX-UHFFFAOYSA-N
XLogP4.19
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.73
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-[6-(3-chloro-4-fluoroanilino)-3-pyridinyl]carbamate
CID 113019008
ethyl N-[6-[4-chloro-2-(trifluoromethyl)anilino]-3-pyridinyl]carbamate
CID 113022044
ethyl N-[5-(3,5-dichloroanilino)-2-pyridinyl]carbamate
CID 113036803
ethyl N-[6-[2-chloro-5-(trifluoromethyl)anilino]-3-pyridinyl]carbamate
CID 113020838
methyl 4-[[5-(ethoxycarbonylamino)-2-pyridinyl]amino]benzoate
CID 113020771
ethyl N-[6-(4-chloro-2-methoxy-5-methylanilino)-3-pyridinyl]carbamate
CID 113022533
ethyl N-[6-(2,4-dimethylanilino)-3-pyridinyl]carbamate
CID 110178980
ethyl N-(3-chloro-4-fluoroanilino)carbamate
CID 12787058
[[6-[3-(ethoxycarbonylamino)anilino]-3-pyridinyl]amino] propanoate
CID 110177011
ethyl N-[6-(propan-2-ylamino)-3-pyridinyl]carbamate
CID 115268615
ethyl N-[4-[(5-chloropyrimidin-2-yl)amino]-3-fluorophenyl]carbamate
CID 155161968
N-[6-(3-chloro-4-fluoroanilino)-3-pyridinyl]oxane-4-carboxamide
CID 113019012

Frequently Asked Questions

What is the IUPAC name of ethyl N-[6-(3-chloro-4-fluoroanilino)-3-pyridinyl]carbamate?
The IUPAC name of ethyl N-[6-(3-chloro-4-fluoroanilino)-3-pyridinyl]carbamate (CID 113019009) is ethyl N-[6-(3-chloro-4-fluoroanilino)-3-pyridinyl]carbamate.
What is the SMILES notation for ethyl N-[6-(3-chloro-4-fluoroanilino)-3-pyridinyl]carbamate?
The canonical SMILES for ethyl N-[6-(3-chloro-4-fluoroanilino)-3-pyridinyl]carbamate is CCOC(=O)Nc1ccc(Nc2ccc(F)c(Cl)c2)nc1.
What is the InChIKey of ethyl N-[6-(3-chloro-4-fluoroanilino)-3-pyridinyl]carbamate?
The InChIKey is XDVKUMYOJMIXJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFN3O2/c1-2-21-14(20)19-10-4-6-13(17-8-10)18-9-3-5-12(16)11(15)7-9/h3-8H,2H2,1H3,(H,17,18)(H,19,20).
What are the key properties of ethyl N-[6-(3-chloro-4-fluoroanilino)-3-pyridinyl]carbamate?
ethyl N-[6-(3-chloro-4-fluoroanilino)-3-pyridinyl]carbamate has a molecular weight of 309.73 g/mol, XLogP of 4.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[6-(3-chloro-4-fluoroanilino)-3-pyridinyl]carbamate is sourced from PubChem (CID 113019009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).