5-[4-[[(2R)-1-(dimethylamino)propan-2-yl]carbamoyl]phenyl]-2-fluorobenzamide

C19H22FN3O2 — CID 125445265

IUPAC5-[4-[[(2R)-1-(dimethylamino)propan-2-yl]carbamoyl]phenyl]-2-fluorobenzamide
SMILESC[C@H](CN(C)C)NC(=O)c1ccc(-c2ccc(F)c(C(N)=O)c2)cc1
InChIInChI=1S/C19H22FN3O2/c1-12(11-23(2)3)22-19(25)14-6-4-13(5-7-14)15-8-9-17(20)16(10-15)18(21)24/h4-10,12H,11H2,1-3H3,(H2,21,24)(H,22,25)/t12-/m1/s1
InChIKeyVNSMGVKTEYAVMY-GFCCVEGCSA-N
MW343.40 g/mol
LogP2.27
Rot. Bonds6

About 5-[4-[[(2R)-1-(dimethylamino)propan-2-yl]carbamoyl]phenyl]-2-fluorobenzamide

5-[4-[[(2R)-1-(dimethylamino)propan-2-yl]carbamoyl]phenyl]-2-fluorobenzamide (PubChem CID 125445265) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is 5-[4-[[(2R)-1-(dimethylamino)propan-2-yl]carbamoyl]phenyl]-2-fluorobenzamide.

Molecular Properties

Compound Name5-[4-[[(2R)-1-(dimethylamino)propan-2-yl]carbamoyl]phenyl]-2-fluorobenzamide
PubChem CID125445265
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC Name5-[4-[[(2R)-1-(dimethylamino)propan-2-yl]carbamoyl]phenyl]-2-fluorobenzamide
SMILESC[C@H](CN(C)C)NC(=O)c1ccc(-c2ccc(F)c(C(N)=O)c2)cc1
InChIInChI=1S/C19H22FN3O2/c1-12(11-23(2)3)22-19(25)14-6-4-13(5-7-14)15-8-9-17(20)16(10-15)18(21)24/h4-10,12H,11H2,1-3H3,(H2,21,24)(H,22,25)/t12-/m1/s1
InChIKeyVNSMGVKTEYAVMY-GFCCVEGCSA-N
XLogP2.27
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[1-(dimethylamino)propan-2-yl]-4-fluorobenzamide
CID 82945495
4-carbamothioyl-N-[1-(dimethylamino)propan-2-yl]benzamide
CID 82939675
3-bromo-N-[1-(dimethylamino)propan-2-yl]-4-fluorobenzamide
CID 107953084
N-[1-(dimethylamino)propan-2-yl]-2-fluoro-5-methylbenzamide
CID 82946219
2-[1-(dimethylamino)propan-2-ylcarbamoyl]-4,5-difluorobenzoic acid
CID 82945428
2-amino-N-[1-(dimethylamino)propan-2-yl]-3-fluorobenzamide
CID 82938061
N-[1-(dimethylamino)propan-2-yl]-2-fluoro-5-(3-hydroxyprop-1-ynyl)benzamide
CID 82949591
3-amino-N-[1-(dimethylamino)propan-2-yl]-4-methoxybenzamide
CID 82945494
3-bromo-4-chloro-N-[1-(dimethylamino)propan-2-yl]benzamide
CID 107999622
(E)-3-[4-[1-(dimethylamino)propan-2-ylcarbamoyl]phenyl]prop-2-enoic acid
CID 82949775
2-fluoro-5-[3-(2-propan-2-yloxyethylcarbamoyl)phenyl]benzamide
CID 122569346
N-[1-(dimethylamino)propan-2-yl]-2-fluoro-3-methylbenzamide
CID 82946104

Frequently Asked Questions

What is the IUPAC name of 5-[4-[[(2R)-1-(dimethylamino)propan-2-yl]carbamoyl]phenyl]-2-fluorobenzamide?
The IUPAC name of 5-[4-[[(2R)-1-(dimethylamino)propan-2-yl]carbamoyl]phenyl]-2-fluorobenzamide (CID 125445265) is 5-[4-[[(2R)-1-(dimethylamino)propan-2-yl]carbamoyl]phenyl]-2-fluorobenzamide.
What is the SMILES notation for 5-[4-[[(2R)-1-(dimethylamino)propan-2-yl]carbamoyl]phenyl]-2-fluorobenzamide?
The canonical SMILES for 5-[4-[[(2R)-1-(dimethylamino)propan-2-yl]carbamoyl]phenyl]-2-fluorobenzamide is C[C@H](CN(C)C)NC(=O)c1ccc(-c2ccc(F)c(C(N)=O)c2)cc1.
What is the InChIKey of 5-[4-[[(2R)-1-(dimethylamino)propan-2-yl]carbamoyl]phenyl]-2-fluorobenzamide?
The InChIKey is VNSMGVKTEYAVMY-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H22FN3O2/c1-12(11-23(2)3)22-19(25)14-6-4-13(5-7-14)15-8-9-17(20)16(10-15)18(21)24/h4-10,12H,11H2,1-3H3,(H2,21,24)(H,22,25)/t12-/m1/s1.
What are the key properties of 5-[4-[[(2R)-1-(dimethylamino)propan-2-yl]carbamoyl]phenyl]-2-fluorobenzamide?
5-[4-[[(2R)-1-(dimethylamino)propan-2-yl]carbamoyl]phenyl]-2-fluorobenzamide has a molecular weight of 343.40 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[[(2R)-1-(dimethylamino)propan-2-yl]carbamoyl]phenyl]-2-fluorobenzamide is sourced from PubChem (CID 125445265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).