4-[(dimethylamino)methyl]-N-[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]benzamide

C19H21FN2O — CID 97060723

IUPAC4-[(dimethylamino)methyl]-N-[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]benzamide
SMILESCN(C)Cc1ccc(C(=O)N[C@H]2C[C@@H]2c2ccc(F)cc2)cc1
InChIInChI=1S/C19H21FN2O/c1-22(2)12-13-3-5-15(6-4-13)19(23)21-18-11-17(18)14-7-9-16(20)10-8-14/h3-10,17-18H,11-12H2,1-2H3,(H,21,23)/t17-,18+/m1/s1
InChIKeyRQTHZGCIUWMYQZ-MSOLQXFVSA-N
MW312.39 g/mol
LogP3.17
Rot. Bonds5

About 4-[(dimethylamino)methyl]-N-[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]benzamide

4-[(dimethylamino)methyl]-N-[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]benzamide (PubChem CID 97060723) has the molecular formula C19H21FN2O and a molecular weight of 312.39 g/mol. Its IUPAC name is 4-[(dimethylamino)methyl]-N-[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]benzamide.

Molecular Properties

Compound Name4-[(dimethylamino)methyl]-N-[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]benzamide
PubChem CID97060723
Molecular FormulaC19H21FN2O
Molecular Weight312.39 g/mol
Exact Mass312.16
IUPAC Name4-[(dimethylamino)methyl]-N-[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]benzamide
SMILESCN(C)Cc1ccc(C(=O)N[C@H]2C[C@@H]2c2ccc(F)cc2)cc1
InChIInChI=1S/C19H21FN2O/c1-22(2)12-13-3-5-15(6-4-13)19(23)21-18-11-17(18)14-7-9-16(20)10-8-14/h3-10,17-18H,11-12H2,1-2H3,(H,21,23)/t17-,18+/m1/s1
InChIKeyRQTHZGCIUWMYQZ-MSOLQXFVSA-N
XLogP3.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(dimethylamino)methyl]-N-[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]benzamide?
The IUPAC name of 4-[(dimethylamino)methyl]-N-[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]benzamide (CID 97060723) is 4-[(dimethylamino)methyl]-N-[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]benzamide.
What is the SMILES notation for 4-[(dimethylamino)methyl]-N-[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]benzamide?
The canonical SMILES for 4-[(dimethylamino)methyl]-N-[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]benzamide is CN(C)Cc1ccc(C(=O)N[C@H]2C[C@@H]2c2ccc(F)cc2)cc1.
What is the InChIKey of 4-[(dimethylamino)methyl]-N-[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]benzamide?
The InChIKey is RQTHZGCIUWMYQZ-MSOLQXFVSA-N. The full InChI is InChI=1S/C19H21FN2O/c1-22(2)12-13-3-5-15(6-4-13)19(23)21-18-11-17(18)14-7-9-16(20)10-8-14/h3-10,17-18H,11-12H2,1-2H3,(H,21,23)/t17-,18+/m1/s1.
What are the key properties of 4-[(dimethylamino)methyl]-N-[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]benzamide?
4-[(dimethylamino)methyl]-N-[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]benzamide has a molecular weight of 312.39 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(dimethylamino)methyl]-N-[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]benzamide is sourced from PubChem (CID 97060723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).