N-[(2R)-1-(dimethylamino)-1-oxopropan-2-yl]-3-[(3-fluorophenoxy)methyl]benzamide

C19H21FN2O3 — CID 96547643

IUPACN-[(2R)-1-(dimethylamino)-1-oxopropan-2-yl]-3-[(3-fluorophenoxy)methyl]benzamide
SMILESC[C@@H](NC(=O)c1cccc(COc2cccc(F)c2)c1)C(=O)N(C)C
InChIInChI=1S/C19H21FN2O3/c1-13(19(24)22(2)3)21-18(23)15-7-4-6-14(10-15)12-25-17-9-5-8-16(20)11-17/h4-11,13H,12H2,1-3H3,(H,21,23)/t13-/m1/s1
InChIKeyIXRFBFFNICZLPQ-CYBMUJFWSA-N
MW344.39 g/mol
LogP2.61
Rot. Bonds6

About N-[(2R)-1-(dimethylamino)-1-oxopropan-2-yl]-3-[(3-fluorophenoxy)methyl]benzamide

N-[(2R)-1-(dimethylamino)-1-oxopropan-2-yl]-3-[(3-fluorophenoxy)methyl]benzamide (PubChem CID 96547643) has the molecular formula C19H21FN2O3 and a molecular weight of 344.39 g/mol. Its IUPAC name is N-[(2R)-1-(dimethylamino)-1-oxopropan-2-yl]-3-[(3-fluorophenoxy)methyl]benzamide.

Molecular Properties

Compound NameN-[(2R)-1-(dimethylamino)-1-oxopropan-2-yl]-3-[(3-fluorophenoxy)methyl]benzamide
PubChem CID96547643
Molecular FormulaC19H21FN2O3
Molecular Weight344.39 g/mol
Exact Mass344.15
IUPAC NameN-[(2R)-1-(dimethylamino)-1-oxopropan-2-yl]-3-[(3-fluorophenoxy)methyl]benzamide
SMILESC[C@@H](NC(=O)c1cccc(COc2cccc(F)c2)c1)C(=O)N(C)C
InChIInChI=1S/C19H21FN2O3/c1-13(19(24)22(2)3)21-18(23)15-7-4-6-14(10-15)12-25-17-9-5-8-16(20)11-17/h4-11,13H,12H2,1-3H3,(H,21,23)/t13-/m1/s1
InChIKeyIXRFBFFNICZLPQ-CYBMUJFWSA-N
XLogP2.61
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-fluorophenoxy)methyl]benzohydrazide
CID 63576868
3-[(3-fluorophenoxy)methyl]-N-[2-(methylamino)propyl]benzamide
CID 120832621
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CID 43578897
3-[(4-fluorophenyl)methoxy]-N-(3-methylbutan-2-yl)benzamide
CID 43035024
3-[(3-fluorophenyl)methoxy]-N-[(1R)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]benzamide
CID 125178271
3-[(3-fluorophenyl)methoxy]benzoic acid
CID 6463764
6-[(3-fluorophenoxy)methyl]-N-propan-2-ylpyridine-3-carboxamide
CID 58533730
3-[(3-fluorophenoxy)methyl]-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide
CID 120943608
3-[[3-[(3-methylphenyl)methoxy]benzoyl]amino]butanoic acid
CID 119220727
2-[[3-(methoxymethyl)benzoyl]amino]propanoic acid
CID 43170851
1-[3-[(3-fluorophenoxy)methyl]phenyl]-3-(4-hydroxy-3-methylbutan-2-yl)urea
CID 111453032
N-[(1R)-1-cyano-2-methylpropyl]-3-(pyridin-3-ylmethoxy)benzamide
CID 86815583

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(dimethylamino)-1-oxopropan-2-yl]-3-[(3-fluorophenoxy)methyl]benzamide?
The IUPAC name of N-[(2R)-1-(dimethylamino)-1-oxopropan-2-yl]-3-[(3-fluorophenoxy)methyl]benzamide (CID 96547643) is N-[(2R)-1-(dimethylamino)-1-oxopropan-2-yl]-3-[(3-fluorophenoxy)methyl]benzamide.
What is the SMILES notation for N-[(2R)-1-(dimethylamino)-1-oxopropan-2-yl]-3-[(3-fluorophenoxy)methyl]benzamide?
The canonical SMILES for N-[(2R)-1-(dimethylamino)-1-oxopropan-2-yl]-3-[(3-fluorophenoxy)methyl]benzamide is C[C@@H](NC(=O)c1cccc(COc2cccc(F)c2)c1)C(=O)N(C)C.
What is the InChIKey of N-[(2R)-1-(dimethylamino)-1-oxopropan-2-yl]-3-[(3-fluorophenoxy)methyl]benzamide?
The InChIKey is IXRFBFFNICZLPQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H21FN2O3/c1-13(19(24)22(2)3)21-18(23)15-7-4-6-14(10-15)12-25-17-9-5-8-16(20)11-17/h4-11,13H,12H2,1-3H3,(H,21,23)/t13-/m1/s1.
What are the key properties of N-[(2R)-1-(dimethylamino)-1-oxopropan-2-yl]-3-[(3-fluorophenoxy)methyl]benzamide?
N-[(2R)-1-(dimethylamino)-1-oxopropan-2-yl]-3-[(3-fluorophenoxy)methyl]benzamide has a molecular weight of 344.39 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(dimethylamino)-1-oxopropan-2-yl]-3-[(3-fluorophenoxy)methyl]benzamide is sourced from PubChem (CID 96547643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).