N-[4-(aminomethyl)-2-fluorophenyl]-2,6-dihydroxybenzamide

C14H13FN2O3 — CID 107687505

IUPACN-[4-(aminomethyl)-2-fluorophenyl]-2,6-dihydroxybenzamide
SMILESNCc1ccc(NC(=O)c2c(O)cccc2O)c(F)c1
InChIInChI=1S/C14H13FN2O3/c15-9-6-8(7-16)4-5-10(9)17-14(20)13-11(18)2-1-3-12(13)19/h1-6,18-19H,7,16H2,(H,17,20)
InChIKeyDQZXHIULBGWODY-UHFFFAOYSA-N
MW276.27 g/mol
LogP1.95
Rot. Bonds3

About N-[4-(aminomethyl)-2-fluorophenyl]-2,6-dihydroxybenzamide

N-[4-(aminomethyl)-2-fluorophenyl]-2,6-dihydroxybenzamide (PubChem CID 107687505) has the molecular formula C14H13FN2O3 and a molecular weight of 276.27 g/mol. Its IUPAC name is N-[4-(aminomethyl)-2-fluorophenyl]-2,6-dihydroxybenzamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)-2-fluorophenyl]-2,6-dihydroxybenzamide
PubChem CID107687505
Molecular FormulaC14H13FN2O3
Molecular Weight276.27 g/mol
Exact Mass276.09
IUPAC NameN-[4-(aminomethyl)-2-fluorophenyl]-2,6-dihydroxybenzamide
SMILESNCc1ccc(NC(=O)c2c(O)cccc2O)c(F)c1
InChIInChI=1S/C14H13FN2O3/c15-9-6-8(7-16)4-5-10(9)17-14(20)13-11(18)2-1-3-12(13)19/h1-6,18-19H,7,16H2,(H,17,20)
InChIKeyDQZXHIULBGWODY-UHFFFAOYSA-N
XLogP1.95
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.27
LogP ≤ 51.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-cyano-2-fluorophenyl)-2,6-dihydroxybenzamide
CID 107688649
N-[4-(aminomethyl)-2-fluorophenyl]-5-methylfuran-3-carboxamide
CID 114818528
N-[4-(aminomethyl)-2-fluorophenyl]-2-methoxyacetamide;hydrochloride
CID 11651718
N-(2,4-difluorophenyl)-2,6-difluorobenzamide
CID 2796874
N-[2-(2-aminoethoxy)phenyl]-2,6-dihydroxybenzamide
CID 107687422
N-(4-amino-2-fluorophenyl)-2,3-dihydroxybenzamide
CID 114343189
3-amino-4-[(2,6-dihydroxybenzoyl)amino]benzoic acid
CID 107687661
N-(2,5-difluoro-4-methylphenyl)-2-fluoro-6-hydroxybenzamide
CID 107015415
sodium 3-[3-fluoro-4-[(2-hydroxybenzoyl)amino]phenyl]propanoate
CID 23700526
N-[4-(aminomethyl)-2-methoxyphenyl]-3-hydroxy-2-methylbenzamide
CID 104847667
N-[4-(aminomethyl)phenyl]-2-chloro-6-fluorobenzamide
CID 28754405
1-[3-(aminomethyl)phenyl]-3-(2,4-difluorophenyl)-1-methylurea
CID 62970793

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)-2-fluorophenyl]-2,6-dihydroxybenzamide?
The IUPAC name of N-[4-(aminomethyl)-2-fluorophenyl]-2,6-dihydroxybenzamide (CID 107687505) is N-[4-(aminomethyl)-2-fluorophenyl]-2,6-dihydroxybenzamide.
What is the SMILES notation for N-[4-(aminomethyl)-2-fluorophenyl]-2,6-dihydroxybenzamide?
The canonical SMILES for N-[4-(aminomethyl)-2-fluorophenyl]-2,6-dihydroxybenzamide is NCc1ccc(NC(=O)c2c(O)cccc2O)c(F)c1.
What is the InChIKey of N-[4-(aminomethyl)-2-fluorophenyl]-2,6-dihydroxybenzamide?
The InChIKey is DQZXHIULBGWODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O3/c15-9-6-8(7-16)4-5-10(9)17-14(20)13-11(18)2-1-3-12(13)19/h1-6,18-19H,7,16H2,(H,17,20).
What are the key properties of N-[4-(aminomethyl)-2-fluorophenyl]-2,6-dihydroxybenzamide?
N-[4-(aminomethyl)-2-fluorophenyl]-2,6-dihydroxybenzamide has a molecular weight of 276.27 g/mol, XLogP of 1.95, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)-2-fluorophenyl]-2,6-dihydroxybenzamide is sourced from PubChem (CID 107687505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).