N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-5-chloro-2,3-dihydro-1-benzofuran-2-carboxamide

C17H16ClFN2O2 — CID 155821492

IUPACN-[[4-(aminomethyl)-2-fluorophenyl]methyl]-5-chloro-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESNCc1ccc(CNC(=O)C2Cc3cc(Cl)ccc3O2)c(F)c1
InChIInChI=1S/C17H16ClFN2O2/c18-13-3-4-15-12(6-13)7-16(23-15)17(22)21-9-11-2-1-10(8-20)5-14(11)19/h1-6,16H,7-9,20H2,(H,21,22)
InChIKeyJNPYFZXYTRAZDD-UHFFFAOYSA-N
MW334.78 g/mol
LogP2.56
Rot. Bonds4

About N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-5-chloro-2,3-dihydro-1-benzofuran-2-carboxamide

N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-5-chloro-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 155821492) has the molecular formula C17H16ClFN2O2 and a molecular weight of 334.78 g/mol. Its IUPAC name is N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-5-chloro-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(aminomethyl)-2-fluorophenyl]methyl]-5-chloro-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID155821492
Molecular FormulaC17H16ClFN2O2
Molecular Weight334.78 g/mol
Exact Mass334.09
IUPAC NameN-[[4-(aminomethyl)-2-fluorophenyl]methyl]-5-chloro-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESNCc1ccc(CNC(=O)C2Cc3cc(Cl)ccc3O2)c(F)c1
InChIInChI=1S/C17H16ClFN2O2/c18-13-3-4-15-12(6-13)7-16(23-15)17(22)21-9-11-2-1-10(8-20)5-14(11)19/h1-6,16H,7-9,20H2,(H,21,22)
InChIKeyJNPYFZXYTRAZDD-UHFFFAOYSA-N
XLogP2.56
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.78
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-5-chloro-N-[(2-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 26705155
(2R)-5-chloro-N-[(2-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 26705156
(2R)-5-chloro-N-[2-(4-chlorophenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9403274
(2R)-5-chloro-N-[(4-methoxyphenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 8006574
5-chloro-N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 17446513
N-(3-amino-2-hydroxy-3-oxopropyl)-5-chloro-2,3-dihydro-1-benzofuran-2-carboxamide
CID 106164157
(2S)-5-chloro-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 41267418
3-[(5-chloro-2,3-dihydro-1-benzofuran-2-carbonyl)amino]-2-methylpropanoic acid
CID 62676584
N-[[3-(aminomethyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 43589376
5-chloro-N-(cyclohexylmethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 24679615
5-chloro-2,3-dihydro-1-benzofuran-2-carboxamide
CID 42920084
N-(2-amino-2-ethylbutyl)-5-chloro-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride
CID 119643716

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-5-chloro-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-5-chloro-2,3-dihydro-1-benzofuran-2-carboxamide (CID 155821492) is N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-5-chloro-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-5-chloro-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-5-chloro-2,3-dihydro-1-benzofuran-2-carboxamide is NCc1ccc(CNC(=O)C2Cc3cc(Cl)ccc3O2)c(F)c1.
What is the InChIKey of N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-5-chloro-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is JNPYFZXYTRAZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN2O2/c18-13-3-4-15-12(6-13)7-16(23-15)17(22)21-9-11-2-1-10(8-20)5-14(11)19/h1-6,16H,7-9,20H2,(H,21,22).
What are the key properties of N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-5-chloro-2,3-dihydro-1-benzofuran-2-carboxamide?
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-5-chloro-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 334.78 g/mol, XLogP of 2.56, 4 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]methyl]-5-chloro-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 155821492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).