N-ethyl-N-[2-fluoro-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamate

C16H15FN3O4- — CID 163197251

IUPACN-ethyl-N-[2-fluoro-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamate
SMILESCCN(C(=O)[O-])c1ccc(Oc2ccnc(C(=O)NC)c2)cc1F
InChIInChI=1S/C16H16FN3O4/c1-3-20(16(22)23)14-5-4-10(8-12(14)17)24-11-6-7-19-13(9-11)15(21)18-2/h4-9H,3H2,1-2H3,(H,18,21)(H,22,23)/p-1
InChIKeySIHMLVQULJOHOX-UHFFFAOYSA-M
MW332.31 g/mol
LogP1.54
Rot. Bonds5

About N-ethyl-N-[2-fluoro-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamate

N-ethyl-N-[2-fluoro-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamate (PubChem CID 163197251) has the molecular formula C16H15FN3O4- and a molecular weight of 332.31 g/mol. Its IUPAC name is N-ethyl-N-[2-fluoro-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamate.

Molecular Properties

Compound NameN-ethyl-N-[2-fluoro-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamate
PubChem CID163197251
Molecular FormulaC16H15FN3O4-
Molecular Weight332.31 g/mol
Exact Mass332.11
IUPAC NameN-ethyl-N-[2-fluoro-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamate
SMILESCCN(C(=O)[O-])c1ccc(Oc2ccnc(C(=O)NC)c2)cc1F
InChIInChI=1S/C16H16FN3O4/c1-3-20(16(22)23)14-5-4-10(8-12(14)17)24-11-6-7-19-13(9-11)15(21)18-2/h4-9H,3H2,1-2H3,(H,18,21)(H,22,23)/p-1
InChIKeySIHMLVQULJOHOX-UHFFFAOYSA-M
XLogP1.54
TPSA94.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.31
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-ethyl-N-[2-fluoro-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamate
CID 86648443
ethyl N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamate
CID 138110037
4-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]-N-methylpyridine-2-carboxamide
CID 140761252
2-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]acetic acid
CID 61395400
4-[4-[(2,5-difluorophenyl)carbamoylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide
CID 131953293
4-[4-[N-carbamoyl-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]anilino]phenoxy]-N-methylpyridine-2-carboxamide
CID 23614583
4-[4-[(4-hydroxyphenyl)diazenyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 165438064
4-(4-amino-3-methylphenoxy)-N-methylpyridine-2-carboxamide;hydrochloride
CID 66746840
4-[4-[(4-fluorophenyl)carbamothioylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 46842980
4-[4-(hexa-2,4-dien-3-ylsulfonylamino)phenoxy]-N-methylpyridine-2-carboxamide
CID 123302198
4-[4-(1-aminoethenyl)phenoxy]-N-methylpyridine-2-carboxamide
CID 142886612
4-[3-(2-aminoethyl)phenoxy]-N-methylpyridine-2-carboxamide
CID 59685040

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-fluoro-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamate?
The IUPAC name of N-ethyl-N-[2-fluoro-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamate (CID 163197251) is N-ethyl-N-[2-fluoro-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamate.
What is the SMILES notation for N-ethyl-N-[2-fluoro-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamate?
The canonical SMILES for N-ethyl-N-[2-fluoro-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamate is CCN(C(=O)[O-])c1ccc(Oc2ccnc(C(=O)NC)c2)cc1F.
What is the InChIKey of N-ethyl-N-[2-fluoro-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamate?
The InChIKey is SIHMLVQULJOHOX-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H16FN3O4/c1-3-20(16(22)23)14-5-4-10(8-12(14)17)24-11-6-7-19-13(9-11)15(21)18-2/h4-9H,3H2,1-2H3,(H,18,21)(H,22,23)/p-1.
What are the key properties of N-ethyl-N-[2-fluoro-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamate?
N-ethyl-N-[2-fluoro-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamate has a molecular weight of 332.31 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-fluoro-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamate is sourced from PubChem (CID 163197251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).