1-chloro-4-methylbenzene;N-[(1-formyl-5-methoxy-2-methylindol-3-yl)methyl]formamide

C20H21ClN2O3 — CID 144985194

IUPAC1-chloro-4-methylbenzene;N-[(1-formyl-5-methoxy-2-methylindol-3-yl)methyl]formamide
SMILESCOc1ccc2c(c1)c(CNC=O)c(C)n2C=O.Cc1ccc(Cl)cc1
InChIInChI=1S/C13H14N2O3.C7H7Cl/c1-9-12(6-14-7-16)11-5-10(18-2)3-4-13(11)15(9)8-17;1-6-2-4-7(8)5-3-6/h3-5,7-8H,6H2,1-2H3,(H,14,16);2-5H,1H3
InChIKeyMVIKXRDYXSXNAO-UHFFFAOYSA-N
MW372.85 g/mol
LogP3.89
Rot. Bonds5

About 1-chloro-4-methylbenzene;N-[(1-formyl-5-methoxy-2-methylindol-3-yl)methyl]formamide

1-chloro-4-methylbenzene;N-[(1-formyl-5-methoxy-2-methylindol-3-yl)methyl]formamide (PubChem CID 144985194) has the molecular formula C20H21ClN2O3 and a molecular weight of 372.85 g/mol. Its IUPAC name is 1-chloro-4-methylbenzene;N-[(1-formyl-5-methoxy-2-methylindol-3-yl)methyl]formamide.

Molecular Properties

Compound Name1-chloro-4-methylbenzene;N-[(1-formyl-5-methoxy-2-methylindol-3-yl)methyl]formamide
PubChem CID144985194
Molecular FormulaC20H21ClN2O3
Molecular Weight372.85 g/mol
Exact Mass372.12
IUPAC Name1-chloro-4-methylbenzene;N-[(1-formyl-5-methoxy-2-methylindol-3-yl)methyl]formamide
SMILESCOc1ccc2c(c1)c(CNC=O)c(C)n2C=O.Cc1ccc(Cl)cc1
InChIInChI=1S/C13H14N2O3.C7H7Cl/c1-9-12(6-14-7-16)11-5-10(18-2)3-4-13(11)15(9)8-17;1-6-2-4-7(8)5-3-6/h3-5,7-8H,6H2,1-2H3,(H,14,16);2-5H,1H3
InChIKeyMVIKXRDYXSXNAO-UHFFFAOYSA-N
XLogP3.89
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.85
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-methylbenzene;N-[(1-formyl-5-methoxy-2-methylindol-3-yl)methyl]formamide?
The IUPAC name of 1-chloro-4-methylbenzene;N-[(1-formyl-5-methoxy-2-methylindol-3-yl)methyl]formamide (CID 144985194) is 1-chloro-4-methylbenzene;N-[(1-formyl-5-methoxy-2-methylindol-3-yl)methyl]formamide.
What is the SMILES notation for 1-chloro-4-methylbenzene;N-[(1-formyl-5-methoxy-2-methylindol-3-yl)methyl]formamide?
The canonical SMILES for 1-chloro-4-methylbenzene;N-[(1-formyl-5-methoxy-2-methylindol-3-yl)methyl]formamide is COc1ccc2c(c1)c(CNC=O)c(C)n2C=O.Cc1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-4-methylbenzene;N-[(1-formyl-5-methoxy-2-methylindol-3-yl)methyl]formamide?
The InChIKey is MVIKXRDYXSXNAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3.C7H7Cl/c1-9-12(6-14-7-16)11-5-10(18-2)3-4-13(11)15(9)8-17;1-6-2-4-7(8)5-3-6/h3-5,7-8H,6H2,1-2H3,(H,14,16);2-5H,1H3.
What are the key properties of 1-chloro-4-methylbenzene;N-[(1-formyl-5-methoxy-2-methylindol-3-yl)methyl]formamide?
1-chloro-4-methylbenzene;N-[(1-formyl-5-methoxy-2-methylindol-3-yl)methyl]formamide has a molecular weight of 372.85 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-methylbenzene;N-[(1-formyl-5-methoxy-2-methylindol-3-yl)methyl]formamide is sourced from PubChem (CID 144985194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).