4-(cyclopropylcarbamoylamino)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]benzamide

C25H22N6O2 — CID 55991805

IUPAC4-(cyclopropylcarbamoylamino)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(C(=O)Nc2ccccc2-c2nc(-c3ccccc3)n[nH]2)cc1)NC1CC1
InChIInChI=1S/C25H22N6O2/c32-24(17-10-12-18(13-11-17)26-25(33)27-19-14-15-19)28-21-9-5-4-8-20(21)23-29-22(30-31-23)16-6-2-1-3-7-16/h1-13,19H,14-15H2,(H,28,32)(H2,26,27,33)(H,29,30,31)
InChIKeyYIPKGKZUJPARLJ-UHFFFAOYSA-N
MW438.49 g/mol
LogP4.67
Rot. Bonds6

About 4-(cyclopropylcarbamoylamino)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]benzamide

4-(cyclopropylcarbamoylamino)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]benzamide (PubChem CID 55991805) has the molecular formula C25H22N6O2 and a molecular weight of 438.49 g/mol. Its IUPAC name is 4-(cyclopropylcarbamoylamino)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-(cyclopropylcarbamoylamino)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]benzamide
PubChem CID55991805
Molecular FormulaC25H22N6O2
Molecular Weight438.49 g/mol
Exact Mass438.18
IUPAC Name4-(cyclopropylcarbamoylamino)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(C(=O)Nc2ccccc2-c2nc(-c3ccccc3)n[nH]2)cc1)NC1CC1
InChIInChI=1S/C25H22N6O2/c32-24(17-10-12-18(13-11-17)26-25(33)27-19-14-15-19)28-21-9-5-4-8-20(21)23-29-22(30-31-23)16-6-2-1-3-7-16/h1-13,19H,14-15H2,(H,28,32)(H2,26,27,33)(H,29,30,31)
InChIKeyYIPKGKZUJPARLJ-UHFFFAOYSA-N
XLogP4.67
TPSA111.80 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.49
LogP ≤ 54.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-iodo-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]benzamide
CID 56684744
4-(cyclopropylcarbamoylamino)-N-phenylbenzamide
CID 39885806
N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 55991421
1-cyclopropyl-3-(2-phenylphenyl)urea
CID 47195783
(2S,4S)-2-methyl-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]piperidine-4-carboxamide
CID 120623836
N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119295911
3-amino-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119735328
N-[2-oxo-2-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)anilino]ethyl]-2-phenylacetamide
CID 55990783
N-cyclopropyl-4-(cyclopropylcarbamoylamino)benzamide
CID 17180568
3-methoxy-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]-4-propan-2-yloxybenzamide
CID 55833867
N-[2-[3-[3-[5-(2-acetamidophenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]phenyl]acetamide
CID 118529738
4-(cyclopropanecarbonylamino)-N-(2-phenylphenyl)benzamide
CID 78767990

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylcarbamoylamino)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]benzamide?
The IUPAC name of 4-(cyclopropylcarbamoylamino)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]benzamide (CID 55991805) is 4-(cyclopropylcarbamoylamino)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]benzamide.
What is the SMILES notation for 4-(cyclopropylcarbamoylamino)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]benzamide?
The canonical SMILES for 4-(cyclopropylcarbamoylamino)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]benzamide is O=C(Nc1ccc(C(=O)Nc2ccccc2-c2nc(-c3ccccc3)n[nH]2)cc1)NC1CC1.
What is the InChIKey of 4-(cyclopropylcarbamoylamino)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]benzamide?
The InChIKey is YIPKGKZUJPARLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N6O2/c32-24(17-10-12-18(13-11-17)26-25(33)27-19-14-15-19)28-21-9-5-4-8-20(21)23-29-22(30-31-23)16-6-2-1-3-7-16/h1-13,19H,14-15H2,(H,28,32)(H2,26,27,33)(H,29,30,31).
What are the key properties of 4-(cyclopropylcarbamoylamino)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]benzamide?
4-(cyclopropylcarbamoylamino)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]benzamide has a molecular weight of 438.49 g/mol, XLogP of 4.67, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylcarbamoylamino)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]benzamide is sourced from PubChem (CID 55991805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).