3-[4-(cyclopropanecarbonyl)phenyl]-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide

C22H22N4O2 — CID 126448711

IUPAC3-[4-(cyclopropanecarbonyl)phenyl]-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
SMILESC[C@@H](NC(=O)c1cccc(-c2ccc(C(=O)C3CC3)cc2)c1)c1nncn1C
InChIInChI=1S/C22H22N4O2/c1-14(21-25-23-13-26(21)2)24-22(28)19-5-3-4-18(12-19)15-6-8-16(9-7-15)20(27)17-10-11-17/h3-9,12-14,17H,10-11H2,1-2H3,(H,24,28)/t14-/m1/s1
InChIKeyYUIWRVNTQBALCY-CQSZACIVSA-N
MW374.44 g/mol
LogP3.57
Rot. Bonds6

About 3-[4-(cyclopropanecarbonyl)phenyl]-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide

3-[4-(cyclopropanecarbonyl)phenyl]-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide (PubChem CID 126448711) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 3-[4-(cyclopropanecarbonyl)phenyl]-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-[4-(cyclopropanecarbonyl)phenyl]-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
PubChem CID126448711
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name3-[4-(cyclopropanecarbonyl)phenyl]-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
SMILESC[C@@H](NC(=O)c1cccc(-c2ccc(C(=O)C3CC3)cc2)c1)c1nncn1C
InChIInChI=1S/C22H22N4O2/c1-14(21-25-23-13-26(21)2)24-22(28)19-5-3-4-18(12-19)15-6-8-16(9-7-15)20(27)17-10-11-17/h3-9,12-14,17H,10-11H2,1-2H3,(H,24,28)/t14-/m1/s1
InChIKeyYUIWRVNTQBALCY-CQSZACIVSA-N
XLogP3.57
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-4-hydroxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 62117193
4-N-tert-butyl-1-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 51093781
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-indazole-6-carboxamide
CID 62906671
4-(bromomethyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 102851127
3-(1-acetylpiperidin-4-yl)oxy-4-methoxy-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 97268505
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4-propylbenzamide
CID 47403301
4-(2-hydroxyethylsulfanyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 90648440
4-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-oxo-1,4-benzoxazine-6-carboxamide
CID 131947877
3-amino-4-ethoxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 62119351
1-methyl-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-morpholin-4-ylbenzimidazole-5-carboxamide
CID 124749549
6-(3-methylphenyl)-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 95976774
2,3-difluoro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 62659999

Frequently Asked Questions

What is the IUPAC name of 3-[4-(cyclopropanecarbonyl)phenyl]-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide?
The IUPAC name of 3-[4-(cyclopropanecarbonyl)phenyl]-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide (CID 126448711) is 3-[4-(cyclopropanecarbonyl)phenyl]-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide.
What is the SMILES notation for 3-[4-(cyclopropanecarbonyl)phenyl]-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide?
The canonical SMILES for 3-[4-(cyclopropanecarbonyl)phenyl]-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide is C[C@@H](NC(=O)c1cccc(-c2ccc(C(=O)C3CC3)cc2)c1)c1nncn1C.
What is the InChIKey of 3-[4-(cyclopropanecarbonyl)phenyl]-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide?
The InChIKey is YUIWRVNTQBALCY-CQSZACIVSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-14(21-25-23-13-26(21)2)24-22(28)19-5-3-4-18(12-19)15-6-8-16(9-7-15)20(27)17-10-11-17/h3-9,12-14,17H,10-11H2,1-2H3,(H,24,28)/t14-/m1/s1.
What are the key properties of 3-[4-(cyclopropanecarbonyl)phenyl]-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide?
3-[4-(cyclopropanecarbonyl)phenyl]-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide has a molecular weight of 374.44 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(cyclopropanecarbonyl)phenyl]-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide is sourced from PubChem (CID 126448711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).