N-[(2-chloro-6-fluorophenyl)methyl]-3-(3-methylindol-1-yl)propanamide

C19H18ClFN2O — CID 2810125

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-3-(3-methylindol-1-yl)propanamide
SMILESCc1cn(CCC(=O)NCc2c(F)cccc2Cl)c2ccccc12
InChIInChI=1S/C19H18ClFN2O/c1-13-12-23(18-8-3-2-5-14(13)18)10-9-19(24)22-11-15-16(20)6-4-7-17(15)21/h2-8,12H,9-11H2,1H3,(H,22,24)
InChIKeyYAZVLPANFBKSJJ-UHFFFAOYSA-N
MW344.82 g/mol
LogP4.45
Rot. Bonds5

About N-[(2-chloro-6-fluorophenyl)methyl]-3-(3-methylindol-1-yl)propanamide

N-[(2-chloro-6-fluorophenyl)methyl]-3-(3-methylindol-1-yl)propanamide (PubChem CID 2810125) has the molecular formula C19H18ClFN2O and a molecular weight of 344.82 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-3-(3-methylindol-1-yl)propanamide.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-3-(3-methylindol-1-yl)propanamide
PubChem CID2810125
Molecular FormulaC19H18ClFN2O
Molecular Weight344.82 g/mol
Exact Mass344.11
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-3-(3-methylindol-1-yl)propanamide
SMILESCc1cn(CCC(=O)NCc2c(F)cccc2Cl)c2ccccc12
InChIInChI=1S/C19H18ClFN2O/c1-13-12-23(18-8-3-2-5-14(13)18)10-9-19(24)22-11-15-16(20)6-4-7-17(15)21/h2-8,12H,9-11H2,1H3,(H,22,24)
InChIKeyYAZVLPANFBKSJJ-UHFFFAOYSA-N
XLogP4.45
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.82
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-3-(3-methylindol-1-yl)propanamide?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-3-(3-methylindol-1-yl)propanamide (CID 2810125) is N-[(2-chloro-6-fluorophenyl)methyl]-3-(3-methylindol-1-yl)propanamide.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-3-(3-methylindol-1-yl)propanamide?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-3-(3-methylindol-1-yl)propanamide is Cc1cn(CCC(=O)NCc2c(F)cccc2Cl)c2ccccc12.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-3-(3-methylindol-1-yl)propanamide?
The InChIKey is YAZVLPANFBKSJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFN2O/c1-13-12-23(18-8-3-2-5-14(13)18)10-9-19(24)22-11-15-16(20)6-4-7-17(15)21/h2-8,12H,9-11H2,1H3,(H,22,24).
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-3-(3-methylindol-1-yl)propanamide?
N-[(2-chloro-6-fluorophenyl)methyl]-3-(3-methylindol-1-yl)propanamide has a molecular weight of 344.82 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-3-(3-methylindol-1-yl)propanamide is sourced from PubChem (CID 2810125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).