(3-fluoro-4-methylphenyl)-[3-(propan-2-ylamino)-1-benzofuran-2-yl]methanone

C19H18FNO2 — CID 110827099

IUPAC(3-fluoro-4-methylphenyl)-[3-(propan-2-ylamino)-1-benzofuran-2-yl]methanone
SMILESCc1ccc(C(=O)c2oc3ccccc3c2NC(C)C)cc1F
InChIInChI=1S/C19H18FNO2/c1-11(2)21-17-14-6-4-5-7-16(14)23-19(17)18(22)13-9-8-12(3)15(20)10-13/h4-11,21H,1-3H3
InChIKeyQDOKZQZWXFGCAD-UHFFFAOYSA-N
MW311.36 g/mol
LogP4.93
Rot. Bonds4

About (3-fluoro-4-methylphenyl)-[3-(propan-2-ylamino)-1-benzofuran-2-yl]methanone

(3-fluoro-4-methylphenyl)-[3-(propan-2-ylamino)-1-benzofuran-2-yl]methanone (PubChem CID 110827099) has the molecular formula C19H18FNO2 and a molecular weight of 311.36 g/mol. Its IUPAC name is (3-fluoro-4-methylphenyl)-[3-(propan-2-ylamino)-1-benzofuran-2-yl]methanone.

Molecular Properties

Compound Name(3-fluoro-4-methylphenyl)-[3-(propan-2-ylamino)-1-benzofuran-2-yl]methanone
PubChem CID110827099
Molecular FormulaC19H18FNO2
Molecular Weight311.36 g/mol
Exact Mass311.13
IUPAC Name(3-fluoro-4-methylphenyl)-[3-(propan-2-ylamino)-1-benzofuran-2-yl]methanone
SMILESCc1ccc(C(=O)c2oc3ccccc3c2NC(C)C)cc1F
InChIInChI=1S/C19H18FNO2/c1-11(2)21-17-14-6-4-5-7-16(14)23-19(17)18(22)13-9-8-12(3)15(20)10-13/h4-11,21H,1-3H3
InChIKeyQDOKZQZWXFGCAD-UHFFFAOYSA-N
XLogP4.93
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chlorophenyl)-[3-(propan-2-ylamino)-1-benzofuran-2-yl]methanone
CID 110827091
N-[2-(3-fluoro-4-methylbenzoyl)-1-benzofuran-3-yl]-2-(4-fluorophenoxy)propanamide
CID 18848079
2-[(2-benzoyl-1-benzofuran-3-yl)amino]-1-(3-fluoro-4-methylphenyl)ethanone
CID 110830459
2-[[2-(3-fluoro-4-methylbenzoyl)-1-benzofuran-3-yl]amino]-1-(4-methoxyphenyl)ethanone
CID 110825664
3-ethoxy-N-[2-(3-fluoro-4-methylbenzoyl)-1-benzofuran-3-yl]benzamide
CID 18848100
N-[2-(3-fluoro-4-methylbenzoyl)-1-benzofuran-3-yl]-3-(2-hydroxy-4,5-dimethylphenyl)-1H-pyrazole-5-carboxamide
CID 135785513
3,6-dichloro-N-[2-(3-fluoro-4-methylbenzoyl)-1-benzofuran-3-yl]-1-benzothiophene-2-carboxamide
CID 18848145
2-(5-chloro-1-benzofuran-3-yl)-N-[2-(3-fluoro-4-methylbenzoyl)-1-benzofuran-3-yl]acetamide
CID 18861000
(2S)-2-(3,4-dimethylphenoxy)-N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]propanamide
CID 41137460
N-(3-methylphenyl)-3-(propan-2-ylamino)-1-benzofuran-2-carboxamide
CID 110827101
N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-methylpropanamide
CID 4067766
2-[[2-(3-fluoro-4-methylbenzoyl)-1-benzofuran-3-yl]amino]-1-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]ethanone
CID 110829398

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methylphenyl)-[3-(propan-2-ylamino)-1-benzofuran-2-yl]methanone?
The IUPAC name of (3-fluoro-4-methylphenyl)-[3-(propan-2-ylamino)-1-benzofuran-2-yl]methanone (CID 110827099) is (3-fluoro-4-methylphenyl)-[3-(propan-2-ylamino)-1-benzofuran-2-yl]methanone.
What is the SMILES notation for (3-fluoro-4-methylphenyl)-[3-(propan-2-ylamino)-1-benzofuran-2-yl]methanone?
The canonical SMILES for (3-fluoro-4-methylphenyl)-[3-(propan-2-ylamino)-1-benzofuran-2-yl]methanone is Cc1ccc(C(=O)c2oc3ccccc3c2NC(C)C)cc1F.
What is the InChIKey of (3-fluoro-4-methylphenyl)-[3-(propan-2-ylamino)-1-benzofuran-2-yl]methanone?
The InChIKey is QDOKZQZWXFGCAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO2/c1-11(2)21-17-14-6-4-5-7-16(14)23-19(17)18(22)13-9-8-12(3)15(20)10-13/h4-11,21H,1-3H3.
What are the key properties of (3-fluoro-4-methylphenyl)-[3-(propan-2-ylamino)-1-benzofuran-2-yl]methanone?
(3-fluoro-4-methylphenyl)-[3-(propan-2-ylamino)-1-benzofuran-2-yl]methanone has a molecular weight of 311.36 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-methylphenyl)-[3-(propan-2-ylamino)-1-benzofuran-2-yl]methanone is sourced from PubChem (CID 110827099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).