N-[4-methyl-3-(tetrazol-1-yl)phenyl]-2-(2-oxo-1,3-dihydroindol-6-yl)acetamide

C18H16N6O2 — CID 154795458

IUPACN-[4-methyl-3-(tetrazol-1-yl)phenyl]-2-(2-oxo-1,3-dihydroindol-6-yl)acetamide
SMILESCc1ccc(NC(=O)Cc2ccc3c(c2)NC(=O)C3)cc1-n1cnnn1
InChIInChI=1S/C18H16N6O2/c1-11-2-5-14(9-16(11)24-10-19-22-23-24)20-17(25)7-12-3-4-13-8-18(26)21-15(13)6-12/h2-6,9-10H,7-8H2,1H3,(H,20,25)(H,21,26)
InChIKeySATNAEMCTHNHQJ-UHFFFAOYSA-N
MW348.37 g/mol
LogP1.65
Rot. Bonds4

About N-[4-methyl-3-(tetrazol-1-yl)phenyl]-2-(2-oxo-1,3-dihydroindol-6-yl)acetamide

N-[4-methyl-3-(tetrazol-1-yl)phenyl]-2-(2-oxo-1,3-dihydroindol-6-yl)acetamide (PubChem CID 154795458) has the molecular formula C18H16N6O2 and a molecular weight of 348.37 g/mol. Its IUPAC name is N-[4-methyl-3-(tetrazol-1-yl)phenyl]-2-(2-oxo-1,3-dihydroindol-6-yl)acetamide.

Molecular Properties

Compound NameN-[4-methyl-3-(tetrazol-1-yl)phenyl]-2-(2-oxo-1,3-dihydroindol-6-yl)acetamide
PubChem CID154795458
Molecular FormulaC18H16N6O2
Molecular Weight348.37 g/mol
Exact Mass348.13
IUPAC NameN-[4-methyl-3-(tetrazol-1-yl)phenyl]-2-(2-oxo-1,3-dihydroindol-6-yl)acetamide
SMILESCc1ccc(NC(=O)Cc2ccc3c(c2)NC(=O)C3)cc1-n1cnnn1
InChIInChI=1S/C18H16N6O2/c1-11-2-5-14(9-16(11)24-10-19-22-23-24)20-17(25)7-12-3-4-13-8-18(26)21-15(13)6-12/h2-6,9-10H,7-8H2,1H3,(H,20,25)(H,21,26)
InChIKeySATNAEMCTHNHQJ-UHFFFAOYSA-N
XLogP1.65
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1-aminocyclobutyl)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]acetamide
CID 79843120
3-(cyclopropylamino)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]propanamide
CID 60866697
4-amino-N-[4-methyl-3-(tetrazol-1-yl)phenyl]butanamide;hydrochloride
CID 119287688
2-[2-[4-methyl-3-(tetrazol-1-yl)anilino]-2-oxoethyl]sulfanylacetic acid
CID 104569427
N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-(2-oxo-1,3-dihydroindol-6-yl)acetamide
CID 122140644
2-(cyclopropylmethylamino)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]acetamide;hydrochloride
CID 119720369
2-(3,4-dimethylphenyl)-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 18079837
N-[6-(diethylamino)-3-pyridinyl]-2-(2-oxo-1,3-dihydroindol-6-yl)acetamide
CID 75476917
N-[4-[2-(dimethylamino)ethyl]phenyl]-2-(2-oxo-1,3-dihydroindol-6-yl)acetamide
CID 136529868
ethyl 2-[4-methyl-3-(tetrazol-1-yl)anilino]-2-oxoacetate
CID 50776937
1,1-dimethyl-3-[4-methyl-3-(tetrazol-1-yl)phenyl]urea
CID 47033827
3-(furan-2-yl)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]propanamide
CID 39224251

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-(tetrazol-1-yl)phenyl]-2-(2-oxo-1,3-dihydroindol-6-yl)acetamide?
The IUPAC name of N-[4-methyl-3-(tetrazol-1-yl)phenyl]-2-(2-oxo-1,3-dihydroindol-6-yl)acetamide (CID 154795458) is N-[4-methyl-3-(tetrazol-1-yl)phenyl]-2-(2-oxo-1,3-dihydroindol-6-yl)acetamide.
What is the SMILES notation for N-[4-methyl-3-(tetrazol-1-yl)phenyl]-2-(2-oxo-1,3-dihydroindol-6-yl)acetamide?
The canonical SMILES for N-[4-methyl-3-(tetrazol-1-yl)phenyl]-2-(2-oxo-1,3-dihydroindol-6-yl)acetamide is Cc1ccc(NC(=O)Cc2ccc3c(c2)NC(=O)C3)cc1-n1cnnn1.
What is the InChIKey of N-[4-methyl-3-(tetrazol-1-yl)phenyl]-2-(2-oxo-1,3-dihydroindol-6-yl)acetamide?
The InChIKey is SATNAEMCTHNHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O2/c1-11-2-5-14(9-16(11)24-10-19-22-23-24)20-17(25)7-12-3-4-13-8-18(26)21-15(13)6-12/h2-6,9-10H,7-8H2,1H3,(H,20,25)(H,21,26).
What are the key properties of N-[4-methyl-3-(tetrazol-1-yl)phenyl]-2-(2-oxo-1,3-dihydroindol-6-yl)acetamide?
N-[4-methyl-3-(tetrazol-1-yl)phenyl]-2-(2-oxo-1,3-dihydroindol-6-yl)acetamide has a molecular weight of 348.37 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-(tetrazol-1-yl)phenyl]-2-(2-oxo-1,3-dihydroindol-6-yl)acetamide is sourced from PubChem (CID 154795458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).