N-[4-(4,10-dihydrotriazolo[5,1-c][1,4]benzodiazepine-5-carbonyl)phenyl]acetamide

C19H17N5O2 — CID 119045310

IUPACN-[4-(4,10-dihydrotriazolo[5,1-c][1,4]benzodiazepine-5-carbonyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)N2Cc3cnnn3Cc3ccccc32)cc1
InChIInChI=1S/C19H17N5O2/c1-13(25)21-16-8-6-14(7-9-16)19(26)23-12-17-10-20-22-24(17)11-15-4-2-3-5-18(15)23/h2-10H,11-12H2,1H3,(H,21,25)
InChIKeyALYNSTPONZUBIC-UHFFFAOYSA-N
MW347.38 g/mol
LogP2.45
Rot. Bonds2

About N-[4-(4,10-dihydrotriazolo[5,1-c][1,4]benzodiazepine-5-carbonyl)phenyl]acetamide

N-[4-(4,10-dihydrotriazolo[5,1-c][1,4]benzodiazepine-5-carbonyl)phenyl]acetamide (PubChem CID 119045310) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is N-[4-(4,10-dihydrotriazolo[5,1-c][1,4]benzodiazepine-5-carbonyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(4,10-dihydrotriazolo[5,1-c][1,4]benzodiazepine-5-carbonyl)phenyl]acetamide
PubChem CID119045310
Molecular FormulaC19H17N5O2
Molecular Weight347.38 g/mol
Exact Mass347.14
IUPAC NameN-[4-(4,10-dihydrotriazolo[5,1-c][1,4]benzodiazepine-5-carbonyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)N2Cc3cnnn3Cc3ccccc32)cc1
InChIInChI=1S/C19H17N5O2/c1-13(25)21-16-8-6-14(7-9-16)19(26)23-12-17-10-20-22-24(17)11-15-4-2-3-5-18(15)23/h2-10H,11-12H2,1H3,(H,21,25)
InChIKeyALYNSTPONZUBIC-UHFFFAOYSA-N
XLogP2.45
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4,10-dihydrotriazolo[5,1-c][1,4]benzodiazepin-5-yl-(5-methyl-1,2-oxazol-3-yl)methanone
CID 99826951
N-(4-acetamidophenyl)-4-(2,3-dihydroindole-1-carbonyl)benzamide
CID 109049557
N-[4-(4-methyl-3-oxo-2H-quinoxaline-1-carbonyl)phenyl]acetamide
CID 110669527
N-[4-[[5-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]amino]phenyl]acetamide
CID 109162452
N-[4-(9-chloro-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-5-carbonyl)phenyl]-2-phenylacetamide
CID 70344744
N-[4-(6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-5-carbonyl)phenyl]-3-methylthiophene-2-carboxamide
CID 15340667
N-[4-(9-chloro-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-5-carbonyl)phenyl]-2-(2-methylphenyl)acetamide
CID 70344794
N-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]acetamide
CID 690423
N-(4-acetamidophenyl)-3-(2,3-dihydroindole-1-carbonyl)benzamide
CID 109057111
4-(4,10-dihydropyrazolo[5,1-c][1,4]benzodiazepine-5-carbonyl)-2-methylbenzamide
CID 57470776
N-[4-(6,11-dihydrobenzo[c][1]benzazepine-5-carbonyl)phenyl]-4-(trifluoromethyl)benzamide
CID 15307981
3-chloro-N-[4-(6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-5-carbonyl)phenyl]thiophene-2-carboxamide
CID 70344713

Frequently Asked Questions

What is the IUPAC name of N-[4-(4,10-dihydrotriazolo[5,1-c][1,4]benzodiazepine-5-carbonyl)phenyl]acetamide?
The IUPAC name of N-[4-(4,10-dihydrotriazolo[5,1-c][1,4]benzodiazepine-5-carbonyl)phenyl]acetamide (CID 119045310) is N-[4-(4,10-dihydrotriazolo[5,1-c][1,4]benzodiazepine-5-carbonyl)phenyl]acetamide.
What is the SMILES notation for N-[4-(4,10-dihydrotriazolo[5,1-c][1,4]benzodiazepine-5-carbonyl)phenyl]acetamide?
The canonical SMILES for N-[4-(4,10-dihydrotriazolo[5,1-c][1,4]benzodiazepine-5-carbonyl)phenyl]acetamide is CC(=O)Nc1ccc(C(=O)N2Cc3cnnn3Cc3ccccc32)cc1.
What is the InChIKey of N-[4-(4,10-dihydrotriazolo[5,1-c][1,4]benzodiazepine-5-carbonyl)phenyl]acetamide?
The InChIKey is ALYNSTPONZUBIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2/c1-13(25)21-16-8-6-14(7-9-16)19(26)23-12-17-10-20-22-24(17)11-15-4-2-3-5-18(15)23/h2-10H,11-12H2,1H3,(H,21,25).
What are the key properties of N-[4-(4,10-dihydrotriazolo[5,1-c][1,4]benzodiazepine-5-carbonyl)phenyl]acetamide?
N-[4-(4,10-dihydrotriazolo[5,1-c][1,4]benzodiazepine-5-carbonyl)phenyl]acetamide has a molecular weight of 347.38 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4,10-dihydrotriazolo[5,1-c][1,4]benzodiazepine-5-carbonyl)phenyl]acetamide is sourced from PubChem (CID 119045310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).