methyl N-[2-fluoro-4-[(3-hydroxyphenyl)methylamino]phenyl]carbamate

C15H15FN2O3 — CID 84600677

IUPACmethyl N-[2-fluoro-4-[(3-hydroxyphenyl)methylamino]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(NCc2cccc(O)c2)cc1F
InChIInChI=1S/C15H15FN2O3/c1-21-15(20)18-14-6-5-11(8-13(14)16)17-9-10-3-2-4-12(19)7-10/h2-8,17,19H,9H2,1H3,(H,18,20)
InChIKeyLMKJKUHFUNTGHV-UHFFFAOYSA-N
MW290.29 g/mol
LogP3.32
Rot. Bonds4

About methyl N-[2-fluoro-4-[(3-hydroxyphenyl)methylamino]phenyl]carbamate

methyl N-[2-fluoro-4-[(3-hydroxyphenyl)methylamino]phenyl]carbamate (PubChem CID 84600677) has the molecular formula C15H15FN2O3 and a molecular weight of 290.29 g/mol. Its IUPAC name is methyl N-[2-fluoro-4-[(3-hydroxyphenyl)methylamino]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-fluoro-4-[(3-hydroxyphenyl)methylamino]phenyl]carbamate
PubChem CID84600677
Molecular FormulaC15H15FN2O3
Molecular Weight290.29 g/mol
Exact Mass290.11
IUPAC Namemethyl N-[2-fluoro-4-[(3-hydroxyphenyl)methylamino]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(NCc2cccc(O)c2)cc1F
InChIInChI=1S/C15H15FN2O3/c1-21-15(20)18-14-6-5-11(8-13(14)16)17-9-10-3-2-4-12(19)7-10/h2-8,17,19H,9H2,1H3,(H,18,20)
InChIKeyLMKJKUHFUNTGHV-UHFFFAOYSA-N
XLogP3.32
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-fluoro-4-methoxyanilino)methyl]phenol
CID 43380515
N-[4-[(3-hydroxyphenyl)methylamino]-2-methoxyphenyl]acetamide
CID 43672974
N-[2-chloro-4-[(3-hydroxyphenyl)methylamino]phenyl]acetamide
CID 43690205
3-[(3-hydroxyanilino)methyl]phenol
CID 21321439
methyl N-[2-fluoro-4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]phenyl]carbamate
CID 75502427
N-[4-[(3-hydroxyphenyl)methylamino]phenyl]-2-methylpropanamide
CID 43683747
2-fluoro-4-[(3-methylphenyl)methylamino]benzoic acid
CID 113319749
methyl N-[2-fluoro-4-[[(2S)-2-methylbutanoyl]amino]phenyl]carbamate
CID 97350483
5-[(3-hydroxyphenyl)methylamino]-2-methylphenol
CID 22983329
3-[[3-(difluoromethoxy)anilino]methyl]phenol
CID 43698912
N-[5-[(3-chlorophenyl)methylamino]-2-fluorophenyl]acetamide
CID 60928498
3-[(naphthalen-2-ylamino)methyl]phenol
CID 43680286

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-fluoro-4-[(3-hydroxyphenyl)methylamino]phenyl]carbamate?
The IUPAC name of methyl N-[2-fluoro-4-[(3-hydroxyphenyl)methylamino]phenyl]carbamate (CID 84600677) is methyl N-[2-fluoro-4-[(3-hydroxyphenyl)methylamino]phenyl]carbamate.
What is the SMILES notation for methyl N-[2-fluoro-4-[(3-hydroxyphenyl)methylamino]phenyl]carbamate?
The canonical SMILES for methyl N-[2-fluoro-4-[(3-hydroxyphenyl)methylamino]phenyl]carbamate is COC(=O)Nc1ccc(NCc2cccc(O)c2)cc1F.
What is the InChIKey of methyl N-[2-fluoro-4-[(3-hydroxyphenyl)methylamino]phenyl]carbamate?
The InChIKey is LMKJKUHFUNTGHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O3/c1-21-15(20)18-14-6-5-11(8-13(14)16)17-9-10-3-2-4-12(19)7-10/h2-8,17,19H,9H2,1H3,(H,18,20).
What are the key properties of methyl N-[2-fluoro-4-[(3-hydroxyphenyl)methylamino]phenyl]carbamate?
methyl N-[2-fluoro-4-[(3-hydroxyphenyl)methylamino]phenyl]carbamate has a molecular weight of 290.29 g/mol, XLogP of 3.32, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-fluoro-4-[(3-hydroxyphenyl)methylamino]phenyl]carbamate is sourced from PubChem (CID 84600677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).