4-fluoro-3-[(1-methoxypropan-2-ylamino)methyl]benzamide

C12H17FN2O2 — CID 43199134

IUPAC4-fluoro-3-[(1-methoxypropan-2-ylamino)methyl]benzamide
SMILESCOCC(C)NCc1cc(C(N)=O)ccc1F
InChIInChI=1S/C12H17FN2O2/c1-8(7-17-2)15-6-10-5-9(12(14)16)3-4-11(10)13/h3-5,8,15H,6-7H2,1-2H3,(H2,14,16)
InChIKeyIQBGVLMPNICCDZ-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.05
Rot. Bonds6

About 4-fluoro-3-[(1-methoxypropan-2-ylamino)methyl]benzamide

4-fluoro-3-[(1-methoxypropan-2-ylamino)methyl]benzamide (PubChem CID 43199134) has the molecular formula C12H17FN2O2 and a molecular weight of 240.28 g/mol. Its IUPAC name is 4-fluoro-3-[(1-methoxypropan-2-ylamino)methyl]benzamide.

Molecular Properties

Compound Name4-fluoro-3-[(1-methoxypropan-2-ylamino)methyl]benzamide
PubChem CID43199134
Molecular FormulaC12H17FN2O2
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC Name4-fluoro-3-[(1-methoxypropan-2-ylamino)methyl]benzamide
SMILESCOCC(C)NCc1cc(C(N)=O)ccc1F
InChIInChI=1S/C12H17FN2O2/c1-8(7-17-2)15-6-10-5-9(12(14)16)3-4-11(10)13/h3-5,8,15H,6-7H2,1-2H3,(H2,14,16)
InChIKeyIQBGVLMPNICCDZ-UHFFFAOYSA-N
XLogP1.05
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-3-[(propan-2-ylamino)methyl]benzamide
CID 24694362
4-fluoro-3-[(pentan-2-ylamino)methyl]benzamide
CID 43199111
4-fluoro-3-[(6-methylheptan-2-ylamino)methyl]benzamide
CID 61469454
4-fluoro-3-[[(1-hydroxy-3-methylbutan-2-yl)amino]methyl]benzamide
CID 79249549
4-fluoro-3-[(2-methoxyethylamino)methyl]benzamide
CID 28565646
3-fluoro-4-[[(1-methoxy-3-methylbutan-2-yl)amino]methyl]benzamide
CID 65049143
3-[(but-3-yn-2-ylamino)methyl]-4-fluorobenzamide
CID 114416954
4-fluoro-3-[[(1-methoxy-1-oxopropan-2-yl)amino]methyl]benzoic acid
CID 107452710
4-[(4-methoxybutan-2-ylamino)methyl]-3-methylbenzamide
CID 114480398
3-[(butan-2-ylamino)methyl]-4-fluorobenzoic acid
CID 107452341
4-fluoro-3-[[[(1S)-1-(3-fluorophenyl)ethyl]amino]methyl]benzamide
CID 81352971
3-[(2,3-dimethylbutylamino)methyl]-4-fluorobenzamide
CID 64570943

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[(1-methoxypropan-2-ylamino)methyl]benzamide?
The IUPAC name of 4-fluoro-3-[(1-methoxypropan-2-ylamino)methyl]benzamide (CID 43199134) is 4-fluoro-3-[(1-methoxypropan-2-ylamino)methyl]benzamide.
What is the SMILES notation for 4-fluoro-3-[(1-methoxypropan-2-ylamino)methyl]benzamide?
The canonical SMILES for 4-fluoro-3-[(1-methoxypropan-2-ylamino)methyl]benzamide is COCC(C)NCc1cc(C(N)=O)ccc1F.
What is the InChIKey of 4-fluoro-3-[(1-methoxypropan-2-ylamino)methyl]benzamide?
The InChIKey is IQBGVLMPNICCDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2/c1-8(7-17-2)15-6-10-5-9(12(14)16)3-4-11(10)13/h3-5,8,15H,6-7H2,1-2H3,(H2,14,16).
What are the key properties of 4-fluoro-3-[(1-methoxypropan-2-ylamino)methyl]benzamide?
4-fluoro-3-[(1-methoxypropan-2-ylamino)methyl]benzamide has a molecular weight of 240.28 g/mol, XLogP of 1.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-[(1-methoxypropan-2-ylamino)methyl]benzamide is sourced from PubChem (CID 43199134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).