N-[3-[1-amino-3-(dimethylamino)propyl]phenyl]-3-fluoro-4-methoxybenzamide

C19H24FN3O2 — CID 141272113

IUPACN-[3-[1-amino-3-(dimethylamino)propyl]phenyl]-3-fluoro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cccc(C(N)CCN(C)C)c2)cc1F
InChIInChI=1S/C19H24FN3O2/c1-23(2)10-9-17(21)13-5-4-6-15(11-13)22-19(24)14-7-8-18(25-3)16(20)12-14/h4-8,11-12,17H,9-10,21H2,1-3H3,(H,22,24)
InChIKeyXKGSVJAXDLVIMB-UHFFFAOYSA-N
MW345.42 g/mol
LogP3.04
Rot. Bonds7

About N-[3-[1-amino-3-(dimethylamino)propyl]phenyl]-3-fluoro-4-methoxybenzamide

N-[3-[1-amino-3-(dimethylamino)propyl]phenyl]-3-fluoro-4-methoxybenzamide (PubChem CID 141272113) has the molecular formula C19H24FN3O2 and a molecular weight of 345.42 g/mol. Its IUPAC name is N-[3-[1-amino-3-(dimethylamino)propyl]phenyl]-3-fluoro-4-methoxybenzamide.

Molecular Properties

Compound NameN-[3-[1-amino-3-(dimethylamino)propyl]phenyl]-3-fluoro-4-methoxybenzamide
PubChem CID141272113
Molecular FormulaC19H24FN3O2
Molecular Weight345.42 g/mol
Exact Mass345.19
IUPAC NameN-[3-[1-amino-3-(dimethylamino)propyl]phenyl]-3-fluoro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cccc(C(N)CCN(C)C)c2)cc1F
InChIInChI=1S/C19H24FN3O2/c1-23(2)10-9-17(21)13-5-4-6-15(11-13)22-19(24)14-7-8-18(25-3)16(20)12-14/h4-8,11-12,17H,9-10,21H2,1-3H3,(H,22,24)
InChIKeyXKGSVJAXDLVIMB-UHFFFAOYSA-N
XLogP3.04
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[3-(dimethylamino)-1-[3-[(3-fluoro-4-methoxybenzoyl)amino]phenyl]propyl]amino]quinazoline-8-carboxamide
CID 66764028
ethyl 3-[(3-fluoro-4-methoxybenzoyl)amino]benzoate
CID 9228357
4-[[2-(dimethylamino)-1-[3-[(3-fluoro-4-methoxybenzoyl)amino]phenyl]ethyl]amino]quinazoline-8-carboxylic acid
CID 142788365
N-(4-aminophenyl)-3-fluoro-4-methoxybenzamide
CID 55125214
3-fluoro-4-methoxy-N-[3-[(1R)-1-(quinazolin-4-ylamino)ethyl]phenyl]benzamide
CID 141272066
3-fluoro-4-methoxy-N-pyridin-3-ylbenzamide
CID 25343484
4-ethoxy-3-fluoro-N-(3-methoxyphenyl)benzamide
CID 110762258
3-amino-N-[3-(dimethylamino)phenyl]-4-methoxybenzamide
CID 115375762
N-(3,5-dichlorophenyl)-3-fluoro-4-methoxybenzamide
CID 27844181
N-[(3-acetamidophenyl)methyl]-3-fluoro-4-methoxybenzamide
CID 39573373
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2,2-diphenylacetate
CID 7542520
4-amino-N-(3-fluoro-4-methoxyphenyl)-3-hydroxybenzamide
CID 107074051

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-amino-3-(dimethylamino)propyl]phenyl]-3-fluoro-4-methoxybenzamide?
The IUPAC name of N-[3-[1-amino-3-(dimethylamino)propyl]phenyl]-3-fluoro-4-methoxybenzamide (CID 141272113) is N-[3-[1-amino-3-(dimethylamino)propyl]phenyl]-3-fluoro-4-methoxybenzamide.
What is the SMILES notation for N-[3-[1-amino-3-(dimethylamino)propyl]phenyl]-3-fluoro-4-methoxybenzamide?
The canonical SMILES for N-[3-[1-amino-3-(dimethylamino)propyl]phenyl]-3-fluoro-4-methoxybenzamide is COc1ccc(C(=O)Nc2cccc(C(N)CCN(C)C)c2)cc1F.
What is the InChIKey of N-[3-[1-amino-3-(dimethylamino)propyl]phenyl]-3-fluoro-4-methoxybenzamide?
The InChIKey is XKGSVJAXDLVIMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O2/c1-23(2)10-9-17(21)13-5-4-6-15(11-13)22-19(24)14-7-8-18(25-3)16(20)12-14/h4-8,11-12,17H,9-10,21H2,1-3H3,(H,22,24).
What are the key properties of N-[3-[1-amino-3-(dimethylamino)propyl]phenyl]-3-fluoro-4-methoxybenzamide?
N-[3-[1-amino-3-(dimethylamino)propyl]phenyl]-3-fluoro-4-methoxybenzamide has a molecular weight of 345.42 g/mol, XLogP of 3.04, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-amino-3-(dimethylamino)propyl]phenyl]-3-fluoro-4-methoxybenzamide is sourced from PubChem (CID 141272113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).