N-[4-(aminomethyl)-2-fluorophenyl]-5-methylfuran-3-carboxamide

C13H13FN2O2 — CID 114818528

IUPACN-[4-(aminomethyl)-2-fluorophenyl]-5-methylfuran-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(CN)cc2F)co1
InChIInChI=1S/C13H13FN2O2/c1-8-4-10(7-18-8)13(17)16-12-3-2-9(6-15)5-11(12)14/h2-5,7H,6,15H2,1H3,(H,16,17)
InChIKeyCJCOQFWEJYGMMI-UHFFFAOYSA-N
MW248.26 g/mol
LogP2.44
Rot. Bonds3

About N-[4-(aminomethyl)-2-fluorophenyl]-5-methylfuran-3-carboxamide

N-[4-(aminomethyl)-2-fluorophenyl]-5-methylfuran-3-carboxamide (PubChem CID 114818528) has the molecular formula C13H13FN2O2 and a molecular weight of 248.26 g/mol. Its IUPAC name is N-[4-(aminomethyl)-2-fluorophenyl]-5-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)-2-fluorophenyl]-5-methylfuran-3-carboxamide
PubChem CID114818528
Molecular FormulaC13H13FN2O2
Molecular Weight248.26 g/mol
Exact Mass248.10
IUPAC NameN-[4-(aminomethyl)-2-fluorophenyl]-5-methylfuran-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(CN)cc2F)co1
InChIInChI=1S/C13H13FN2O2/c1-8-4-10(7-18-8)13(17)16-12-3-2-9(6-15)5-11(12)14/h2-5,7H,6,15H2,1H3,(H,16,17)
InChIKeyCJCOQFWEJYGMMI-UHFFFAOYSA-N
XLogP2.44
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-amino-2-fluorophenyl)-5-methylfuran-3-carboxamide
CID 114818556
N-[4-(aminomethyl)-2-fluorophenyl]-2,6-dihydroxybenzamide
CID 107687505
N-(2-bromo-4-fluorophenyl)-5-methylfuran-3-carboxamide
CID 114820853
5-fluoro-2-[(5-methylfuran-3-carbonyl)amino]benzoic acid
CID 114818783
N-(4-amino-2-chlorophenyl)-5-methylfuran-3-carboxamide
CID 114818567
N-(4-amino-2-bromophenyl)-5-methylfuran-3-carboxamide
CID 114818644
N-[5-(aminomethyl)-2-methylphenyl]-3,5-difluorobenzamide
CID 62104670
N-[4-(aminomethyl)-2-fluorophenyl]-2-methoxyacetamide;hydrochloride
CID 11651718
N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]-5-methylfuran-3-carboxamide
CID 114822142
5-hydroxy-2-[(5-methylfuran-3-carbonyl)amino]benzoic acid
CID 114818932
N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]-5-methylfuran-3-carboxamide
CID 114822220
N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]-5-methylfuran-3-carboxamide
CID 114822227

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)-2-fluorophenyl]-5-methylfuran-3-carboxamide?
The IUPAC name of N-[4-(aminomethyl)-2-fluorophenyl]-5-methylfuran-3-carboxamide (CID 114818528) is N-[4-(aminomethyl)-2-fluorophenyl]-5-methylfuran-3-carboxamide.
What is the SMILES notation for N-[4-(aminomethyl)-2-fluorophenyl]-5-methylfuran-3-carboxamide?
The canonical SMILES for N-[4-(aminomethyl)-2-fluorophenyl]-5-methylfuran-3-carboxamide is Cc1cc(C(=O)Nc2ccc(CN)cc2F)co1.
What is the InChIKey of N-[4-(aminomethyl)-2-fluorophenyl]-5-methylfuran-3-carboxamide?
The InChIKey is CJCOQFWEJYGMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2/c1-8-4-10(7-18-8)13(17)16-12-3-2-9(6-15)5-11(12)14/h2-5,7H,6,15H2,1H3,(H,16,17).
What are the key properties of N-[4-(aminomethyl)-2-fluorophenyl]-5-methylfuran-3-carboxamide?
N-[4-(aminomethyl)-2-fluorophenyl]-5-methylfuran-3-carboxamide has a molecular weight of 248.26 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)-2-fluorophenyl]-5-methylfuran-3-carboxamide is sourced from PubChem (CID 114818528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).