N-methyl-N-[(1S,2R)-2-phenylcyclopropyl]-4-(triazol-1-yl)benzamide

C19H18N4O — CID 97247281

IUPACN-methyl-N-[(1S,2R)-2-phenylcyclopropyl]-4-(triazol-1-yl)benzamide
SMILESCN(C(=O)c1ccc(-n2ccnn2)cc1)[C@H]1C[C@@H]1c1ccccc1
InChIInChI=1S/C19H18N4O/c1-22(18-13-17(18)14-5-3-2-4-6-14)19(24)15-7-9-16(10-8-15)23-12-11-20-21-23/h2-12,17-18H,13H2,1H3/t17-,18+/m1/s1
InChIKeyNHCVQMYHATUTQG-MSOLQXFVSA-N
MW318.38 g/mol
LogP2.90
Rot. Bonds4

About N-methyl-N-[(1S,2R)-2-phenylcyclopropyl]-4-(triazol-1-yl)benzamide

N-methyl-N-[(1S,2R)-2-phenylcyclopropyl]-4-(triazol-1-yl)benzamide (PubChem CID 97247281) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is N-methyl-N-[(1S,2R)-2-phenylcyclopropyl]-4-(triazol-1-yl)benzamide.

Molecular Properties

Compound NameN-methyl-N-[(1S,2R)-2-phenylcyclopropyl]-4-(triazol-1-yl)benzamide
PubChem CID97247281
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC NameN-methyl-N-[(1S,2R)-2-phenylcyclopropyl]-4-(triazol-1-yl)benzamide
SMILESCN(C(=O)c1ccc(-n2ccnn2)cc1)[C@H]1C[C@@H]1c1ccccc1
InChIInChI=1S/C19H18N4O/c1-22(18-13-17(18)14-5-3-2-4-6-14)19(24)15-7-9-16(10-8-15)23-12-11-20-21-23/h2-12,17-18H,13H2,1H3/t17-,18+/m1/s1
InChIKeyNHCVQMYHATUTQG-MSOLQXFVSA-N
XLogP2.90
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1S,2R)-2-phenylcyclopropyl]-4-(triazol-1-yl)benzamide?
The IUPAC name of N-methyl-N-[(1S,2R)-2-phenylcyclopropyl]-4-(triazol-1-yl)benzamide (CID 97247281) is N-methyl-N-[(1S,2R)-2-phenylcyclopropyl]-4-(triazol-1-yl)benzamide.
What is the SMILES notation for N-methyl-N-[(1S,2R)-2-phenylcyclopropyl]-4-(triazol-1-yl)benzamide?
The canonical SMILES for N-methyl-N-[(1S,2R)-2-phenylcyclopropyl]-4-(triazol-1-yl)benzamide is CN(C(=O)c1ccc(-n2ccnn2)cc1)[C@H]1C[C@@H]1c1ccccc1.
What is the InChIKey of N-methyl-N-[(1S,2R)-2-phenylcyclopropyl]-4-(triazol-1-yl)benzamide?
The InChIKey is NHCVQMYHATUTQG-MSOLQXFVSA-N. The full InChI is InChI=1S/C19H18N4O/c1-22(18-13-17(18)14-5-3-2-4-6-14)19(24)15-7-9-16(10-8-15)23-12-11-20-21-23/h2-12,17-18H,13H2,1H3/t17-,18+/m1/s1.
What are the key properties of N-methyl-N-[(1S,2R)-2-phenylcyclopropyl]-4-(triazol-1-yl)benzamide?
N-methyl-N-[(1S,2R)-2-phenylcyclopropyl]-4-(triazol-1-yl)benzamide has a molecular weight of 318.38 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1S,2R)-2-phenylcyclopropyl]-4-(triazol-1-yl)benzamide is sourced from PubChem (CID 97247281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).