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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Related Compounds

N-methyl-N-(2-phenylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 167847221
N-methyl-4-(triazol-1-yl)-N-[1-(trifluoromethyl)cyclopropyl]benzamide
CID 138017727
3-ethylsulfonyl-N-methyl-N-[(1S,2R)-2-phenylcyclopropyl]benzamide
CID 97248877
N-ethyl-N-pyridin-4-yl-4-(triazol-1-yl)benzamide
CID 75434197
N-[(2S)-2-anilinopropyl]-4-(triazol-1-yl)benzamide
CID 97082837
N-methyl-N-piperidin-4-yl-4-pyrazol-1-ylbenzamide;hydrochloride
CID 68723933
N-methyl-N-(2-phenylcyclopropyl)but-2-ynamide
CID 146083708
[(3R)-3-[(dimethylamino)methyl]pyrrolidin-1-yl]-[4-(triazol-1-yl)phenyl]methanone
CID 174915076
cis-(1R,3S)-3-[[4-(triazol-1-yl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 120678961
1-[4-(triazol-1-yl)phenyl]prop-2-yn-1-one
CID 141083827
[4-(dimethylamino)-3,3-difluoropyrrolidin-1-yl]-[4-(triazol-1-yl)phenyl]methanone
CID 174914265
5-[4-(triazol-1-yl)phenyl]pyrrolidine-3-carboxylic acid
CID 117399252

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).