2-(3-bromo-2-methylindol-1-yl)-N-(2-methyl-3-nitrophenyl)acetamide

C18H16BrN3O3 — CID 60548874

IUPAC2-(3-bromo-2-methylindol-1-yl)-N-(2-methyl-3-nitrophenyl)acetamide
SMILESCc1c(NC(=O)Cn2c(C)c(Br)c3ccccc32)cccc1[N+](=O)[O-]
InChIInChI=1S/C18H16BrN3O3/c1-11-14(7-5-9-15(11)22(24)25)20-17(23)10-21-12(2)18(19)13-6-3-4-8-16(13)21/h3-9H,10H2,1-2H3,(H,20,23)
InChIKeySZWRMFBBNBCINB-UHFFFAOYSA-N
MW402.25 g/mol
LogP4.57
Rot. Bonds4

About 2-(3-bromo-2-methylindol-1-yl)-N-(2-methyl-3-nitrophenyl)acetamide

2-(3-bromo-2-methylindol-1-yl)-N-(2-methyl-3-nitrophenyl)acetamide (PubChem CID 60548874) has the molecular formula C18H16BrN3O3 and a molecular weight of 402.25 g/mol. Its IUPAC name is 2-(3-bromo-2-methylindol-1-yl)-N-(2-methyl-3-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(3-bromo-2-methylindol-1-yl)-N-(2-methyl-3-nitrophenyl)acetamide
PubChem CID60548874
Molecular FormulaC18H16BrN3O3
Molecular Weight402.25 g/mol
Exact Mass401.04
IUPAC Name2-(3-bromo-2-methylindol-1-yl)-N-(2-methyl-3-nitrophenyl)acetamide
SMILESCc1c(NC(=O)Cn2c(C)c(Br)c3ccccc32)cccc1[N+](=O)[O-]
InChIInChI=1S/C18H16BrN3O3/c1-11-14(7-5-9-15(11)22(24)25)20-17(23)10-21-12(2)18(19)13-6-3-4-8-16(13)21/h3-9H,10H2,1-2H3,(H,20,23)
InChIKeySZWRMFBBNBCINB-UHFFFAOYSA-N
XLogP4.57
TPSA77.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.25
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(2-methyl-3-nitrophenyl)acetamide
CID 26737786
2-(3-bromo-2-methylindol-1-yl)-N-[2-(methanesulfonamido)phenyl]acetamide
CID 52714750
2-anilino-N-(2-methyl-3-nitrophenyl)acetamide
CID 60646897
2-(3-methyl-2,4-dioxoquinazolin-1-yl)-N-(2-nitrophenyl)acetamide
CID 2943669
2-(3-bromo-2-methylindol-1-yl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)acetamide
CID 52661626
2-(3-acetamido-2-methylanilino)-N-(2-methyl-3-nitrophenyl)acetamide
CID 34067918
(2-methyl-3-nitrophenyl)urea
CID 22416531
2-(2-chlorophenyl)sulfanyl-N-(2-methyl-3-nitrophenyl)acetamide
CID 2498766
N-(2,3-dimethylphenyl)-2-(3-formyl-2-methylindol-1-yl)acetamide
CID 965806
N-(2-methyl-3-nitrophenyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
CID 2210518
2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-N-(2-methyl-3-nitrophenyl)acetamide
CID 9394683
4-methyl-N-(2-methyl-3-nitrophenyl)pentanamide
CID 4800327

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2-methylindol-1-yl)-N-(2-methyl-3-nitrophenyl)acetamide?
The IUPAC name of 2-(3-bromo-2-methylindol-1-yl)-N-(2-methyl-3-nitrophenyl)acetamide (CID 60548874) is 2-(3-bromo-2-methylindol-1-yl)-N-(2-methyl-3-nitrophenyl)acetamide.
What is the SMILES notation for 2-(3-bromo-2-methylindol-1-yl)-N-(2-methyl-3-nitrophenyl)acetamide?
The canonical SMILES for 2-(3-bromo-2-methylindol-1-yl)-N-(2-methyl-3-nitrophenyl)acetamide is Cc1c(NC(=O)Cn2c(C)c(Br)c3ccccc32)cccc1[N+](=O)[O-].
What is the InChIKey of 2-(3-bromo-2-methylindol-1-yl)-N-(2-methyl-3-nitrophenyl)acetamide?
The InChIKey is SZWRMFBBNBCINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN3O3/c1-11-14(7-5-9-15(11)22(24)25)20-17(23)10-21-12(2)18(19)13-6-3-4-8-16(13)21/h3-9H,10H2,1-2H3,(H,20,23).
What are the key properties of 2-(3-bromo-2-methylindol-1-yl)-N-(2-methyl-3-nitrophenyl)acetamide?
2-(3-bromo-2-methylindol-1-yl)-N-(2-methyl-3-nitrophenyl)acetamide has a molecular weight of 402.25 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2-methylindol-1-yl)-N-(2-methyl-3-nitrophenyl)acetamide is sourced from PubChem (CID 60548874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).