ethyl N-[4-[(4-fluoroanilino)methyl]-2-methylphenyl]carbamate

C17H19FN2O2 — CID 10266902

IUPACethyl N-[4-[(4-fluoroanilino)methyl]-2-methylphenyl]carbamate
SMILESCCOC(=O)Nc1ccc(CNc2ccc(F)cc2)cc1C
InChIInChI=1S/C17H19FN2O2/c1-3-22-17(21)20-16-9-4-13(10-12(16)2)11-19-15-7-5-14(18)6-8-15/h4-10,19H,3,11H2,1-2H3,(H,20,21)
InChIKeyHCLUFHIOGAXFCC-UHFFFAOYSA-N
MW302.35 g/mol
LogP4.31
Rot. Bonds5

About ethyl N-[4-[(4-fluoroanilino)methyl]-2-methylphenyl]carbamate

ethyl N-[4-[(4-fluoroanilino)methyl]-2-methylphenyl]carbamate (PubChem CID 10266902) has the molecular formula C17H19FN2O2 and a molecular weight of 302.35 g/mol. Its IUPAC name is ethyl N-[4-[(4-fluoroanilino)methyl]-2-methylphenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-[(4-fluoroanilino)methyl]-2-methylphenyl]carbamate
PubChem CID10266902
Molecular FormulaC17H19FN2O2
Molecular Weight302.35 g/mol
Exact Mass302.14
IUPAC Nameethyl N-[4-[(4-fluoroanilino)methyl]-2-methylphenyl]carbamate
SMILESCCOC(=O)Nc1ccc(CNc2ccc(F)cc2)cc1C
InChIInChI=1S/C17H19FN2O2/c1-3-22-17(21)20-16-9-4-13(10-12(16)2)11-19-15-7-5-14(18)6-8-15/h4-10,19H,3,11H2,1-2H3,(H,20,21)
InChIKeyHCLUFHIOGAXFCC-UHFFFAOYSA-N
XLogP4.31
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl N-[2-amino-4-[(4-fluorophenyl)methylamino]phenyl]carbamate;hydrochloride
CID 10020110
ethyl N-[2-amino-4-[(4-fluorophenyl)methylamino]phenyl]carbamate;phosphoric acid
CID 72548935
ethyl N-[2-(6-aminohexanoylamino)-4-[(4-fluorophenyl)methylamino]phenyl]carbamate
CID 167224940
ethyl N-[2-amino-4-[(4-propan-2-ylanilino)methyl]phenyl]carbamate
CID 10336571
ethyl N-[2-amino-4-[(3-chloro-4-methylanilino)methyl]phenyl]carbamate
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ethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]pyridin-1-ium-3-yl]carbamate
CID 25271804
ethane;ethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate
CID 153394509
ethyl N-[4-[(3-fluoroanilino)methyl]-2,6-dimethylphenyl]carbamate
CID 11716670
ethyl N-[2-amino-4-[(2-fluoroanilino)methyl]phenyl]carbamate
CID 11722512
ethyl N-[2-amino-4-[(4-sulfanylphenyl)methylamino]phenyl]carbamate
CID 134493537
ethyl N-[2-amino-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]carbamate
CID 10269475
hexyl N-[2-amino-4-[(4-fluorophenyl)methylamino]phenyl]carbamate
CID 137420687

Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-[(4-fluoroanilino)methyl]-2-methylphenyl]carbamate?
The IUPAC name of ethyl N-[4-[(4-fluoroanilino)methyl]-2-methylphenyl]carbamate (CID 10266902) is ethyl N-[4-[(4-fluoroanilino)methyl]-2-methylphenyl]carbamate.
What is the SMILES notation for ethyl N-[4-[(4-fluoroanilino)methyl]-2-methylphenyl]carbamate?
The canonical SMILES for ethyl N-[4-[(4-fluoroanilino)methyl]-2-methylphenyl]carbamate is CCOC(=O)Nc1ccc(CNc2ccc(F)cc2)cc1C.
What is the InChIKey of ethyl N-[4-[(4-fluoroanilino)methyl]-2-methylphenyl]carbamate?
The InChIKey is HCLUFHIOGAXFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O2/c1-3-22-17(21)20-16-9-4-13(10-12(16)2)11-19-15-7-5-14(18)6-8-15/h4-10,19H,3,11H2,1-2H3,(H,20,21).
What are the key properties of ethyl N-[4-[(4-fluoroanilino)methyl]-2-methylphenyl]carbamate?
ethyl N-[4-[(4-fluoroanilino)methyl]-2-methylphenyl]carbamate has a molecular weight of 302.35 g/mol, XLogP of 4.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-[(4-fluoroanilino)methyl]-2-methylphenyl]carbamate is sourced from PubChem (CID 10266902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).