ethyl N-[4-[(3-fluorophenyl)methoxy]phenyl]carbamate

C16H16FNO3 — CID 110359980

IUPACethyl N-[4-[(3-fluorophenyl)methoxy]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(OCc2cccc(F)c2)cc1
InChIInChI=1S/C16H16FNO3/c1-2-20-16(19)18-14-6-8-15(9-7-14)21-11-12-4-3-5-13(17)10-12/h3-10H,2,11H2,1H3,(H,18,19)
InChIKeyORZJTNFCAHPOTP-UHFFFAOYSA-N
MW289.31 g/mol
LogP3.97
Rot. Bonds5

About ethyl N-[4-[(3-fluorophenyl)methoxy]phenyl]carbamate

ethyl N-[4-[(3-fluorophenyl)methoxy]phenyl]carbamate (PubChem CID 110359980) has the molecular formula C16H16FNO3 and a molecular weight of 289.31 g/mol. Its IUPAC name is ethyl N-[4-[(3-fluorophenyl)methoxy]phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-[(3-fluorophenyl)methoxy]phenyl]carbamate
PubChem CID110359980
Molecular FormulaC16H16FNO3
Molecular Weight289.31 g/mol
Exact Mass289.11
IUPAC Nameethyl N-[4-[(3-fluorophenyl)methoxy]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(OCc2cccc(F)c2)cc1
InChIInChI=1S/C16H16FNO3/c1-2-20-16(19)18-14-6-8-15(9-7-14)21-11-12-4-3-5-13(17)10-12/h3-10H,2,11H2,1H3,(H,18,19)
InChIKeyORZJTNFCAHPOTP-UHFFFAOYSA-N
XLogP3.97
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(3-fluorophenyl)methoxy]anilino]ethene-1,1,2-tricarbonitrile
CID 168608415
ethyl N-[4-(2,2,2-trifluoroethoxy)phenyl]carbamate
CID 60705257
propyl N-(4-phenylmethoxyphenyl)carbamate
CID 19169909
4-[(3-fluorophenyl)methoxy]-N-propan-2-ylaniline
CID 155469561
N-[4-[(3-methylphenyl)methoxy]phenyl]acetamide
CID 8522252
(2S)-6-amino-2-[[4-[(3-fluorophenyl)methoxy]phenyl]carbamoylamino]hexanoic acid
CID 149432585
methyl 3-[4-[(3-fluorophenyl)methoxy]phenoxy]propanoate
CID 69037597
N-[4-[(3-fluorophenyl)methoxy]phenyl]-2-(2-methyl-4,5-dihydro-1,3-oxazol-4-yl)acetamide
CID 122493907
(3S)-3-acetamido-4-chloro-N-[4-[(3-fluorophenyl)methoxy]phenyl]butanamide
CID 118057062
ethyl N-[6-(4-phenylmethoxyanilino)-3-pyridinyl]carbamate
CID 113021244
4-amino-N-[3-[(3-fluorophenyl)methoxy]phenyl]pentanamide
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ethyl N-[4-(methoxymethoxy)phenyl]carbamate
CID 19896200

Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-[(3-fluorophenyl)methoxy]phenyl]carbamate?
The IUPAC name of ethyl N-[4-[(3-fluorophenyl)methoxy]phenyl]carbamate (CID 110359980) is ethyl N-[4-[(3-fluorophenyl)methoxy]phenyl]carbamate.
What is the SMILES notation for ethyl N-[4-[(3-fluorophenyl)methoxy]phenyl]carbamate?
The canonical SMILES for ethyl N-[4-[(3-fluorophenyl)methoxy]phenyl]carbamate is CCOC(=O)Nc1ccc(OCc2cccc(F)c2)cc1.
What is the InChIKey of ethyl N-[4-[(3-fluorophenyl)methoxy]phenyl]carbamate?
The InChIKey is ORZJTNFCAHPOTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO3/c1-2-20-16(19)18-14-6-8-15(9-7-14)21-11-12-4-3-5-13(17)10-12/h3-10H,2,11H2,1H3,(H,18,19).
What are the key properties of ethyl N-[4-[(3-fluorophenyl)methoxy]phenyl]carbamate?
ethyl N-[4-[(3-fluorophenyl)methoxy]phenyl]carbamate has a molecular weight of 289.31 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-[(3-fluorophenyl)methoxy]phenyl]carbamate is sourced from PubChem (CID 110359980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).