ethyl N-[3-[(5-fluoro-2-methylphenyl)carbamoyl]phenyl]carbamate

C17H17FN2O3 — CID 17427553

IUPACethyl N-[3-[(5-fluoro-2-methylphenyl)carbamoyl]phenyl]carbamate
SMILESCCOC(=O)Nc1cccc(C(=O)Nc2cc(F)ccc2C)c1
InChIInChI=1S/C17H17FN2O3/c1-3-23-17(22)19-14-6-4-5-12(9-14)16(21)20-15-10-13(18)8-7-11(15)2/h4-10H,3H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyDNMRYMQRIJSEFD-UHFFFAOYSA-N
MW316.33 g/mol
LogP3.95
Rot. Bonds4

About ethyl N-[3-[(5-fluoro-2-methylphenyl)carbamoyl]phenyl]carbamate

ethyl N-[3-[(5-fluoro-2-methylphenyl)carbamoyl]phenyl]carbamate (PubChem CID 17427553) has the molecular formula C17H17FN2O3 and a molecular weight of 316.33 g/mol. Its IUPAC name is ethyl N-[3-[(5-fluoro-2-methylphenyl)carbamoyl]phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[3-[(5-fluoro-2-methylphenyl)carbamoyl]phenyl]carbamate
PubChem CID17427553
Molecular FormulaC17H17FN2O3
Molecular Weight316.33 g/mol
Exact Mass316.12
IUPAC Nameethyl N-[3-[(5-fluoro-2-methylphenyl)carbamoyl]phenyl]carbamate
SMILESCCOC(=O)Nc1cccc(C(=O)Nc2cc(F)ccc2C)c1
InChIInChI=1S/C17H17FN2O3/c1-3-23-17(22)19-14-6-4-5-12(9-14)16(21)20-15-10-13(18)8-7-11(15)2/h4-10H,3H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyDNMRYMQRIJSEFD-UHFFFAOYSA-N
XLogP3.95
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(5-fluoro-2-methylphenyl)-3-methylbenzamide
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ethyl N-[3-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]phenyl]carbamate
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ethyl N-[3-(ethoxycarbonylamino)phenyl]carbamate
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ethyl N-[3-(pentylcarbamoyl)phenyl]carbamate
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ethyl N-[3-[(4-phenylphenyl)carbamoyl]phenyl]carbamate
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ethyl N-[3-(3-methoxypropylcarbamoyl)phenyl]carbamate
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ethyl N-[3-[(2-fluorophenyl)methylcarbamoyl]phenyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of ethyl N-[3-[(5-fluoro-2-methylphenyl)carbamoyl]phenyl]carbamate?
The IUPAC name of ethyl N-[3-[(5-fluoro-2-methylphenyl)carbamoyl]phenyl]carbamate (CID 17427553) is ethyl N-[3-[(5-fluoro-2-methylphenyl)carbamoyl]phenyl]carbamate.
What is the SMILES notation for ethyl N-[3-[(5-fluoro-2-methylphenyl)carbamoyl]phenyl]carbamate?
The canonical SMILES for ethyl N-[3-[(5-fluoro-2-methylphenyl)carbamoyl]phenyl]carbamate is CCOC(=O)Nc1cccc(C(=O)Nc2cc(F)ccc2C)c1.
What is the InChIKey of ethyl N-[3-[(5-fluoro-2-methylphenyl)carbamoyl]phenyl]carbamate?
The InChIKey is DNMRYMQRIJSEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O3/c1-3-23-17(22)19-14-6-4-5-12(9-14)16(21)20-15-10-13(18)8-7-11(15)2/h4-10H,3H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of ethyl N-[3-[(5-fluoro-2-methylphenyl)carbamoyl]phenyl]carbamate?
ethyl N-[3-[(5-fluoro-2-methylphenyl)carbamoyl]phenyl]carbamate has a molecular weight of 316.33 g/mol, XLogP of 3.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[3-[(5-fluoro-2-methylphenyl)carbamoyl]phenyl]carbamate is sourced from PubChem (CID 17427553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).