3-chloro-N-[2-(2,7-dimethyl-1H-indol-3-yl)ethyl]-2-fluorobenzamide

C19H18ClFN2O — CID 44624444

IUPAC3-chloro-N-[2-(2,7-dimethyl-1H-indol-3-yl)ethyl]-2-fluorobenzamide
SMILESCc1[nH]c2c(C)cccc2c1CCNC(=O)c1cccc(Cl)c1F
InChIInChI=1S/C19H18ClFN2O/c1-11-5-3-6-14-13(12(2)23-18(11)14)9-10-22-19(24)15-7-4-8-16(20)17(15)21/h3-8,23H,9-10H2,1-2H3,(H,22,24)
InChIKeySVVRTKUYXSVUHN-UHFFFAOYSA-N
MW344.82 g/mol
LogP4.55
Rot. Bonds4

About 3-chloro-N-[2-(2,7-dimethyl-1H-indol-3-yl)ethyl]-2-fluorobenzamide

3-chloro-N-[2-(2,7-dimethyl-1H-indol-3-yl)ethyl]-2-fluorobenzamide (PubChem CID 44624444) has the molecular formula C19H18ClFN2O and a molecular weight of 344.82 g/mol. Its IUPAC name is 3-chloro-N-[2-(2,7-dimethyl-1H-indol-3-yl)ethyl]-2-fluorobenzamide.

Molecular Properties

Compound Name3-chloro-N-[2-(2,7-dimethyl-1H-indol-3-yl)ethyl]-2-fluorobenzamide
PubChem CID44624444
Molecular FormulaC19H18ClFN2O
Molecular Weight344.82 g/mol
Exact Mass344.11
IUPAC Name3-chloro-N-[2-(2,7-dimethyl-1H-indol-3-yl)ethyl]-2-fluorobenzamide
SMILESCc1[nH]c2c(C)cccc2c1CCNC(=O)c1cccc(Cl)c1F
InChIInChI=1S/C19H18ClFN2O/c1-11-5-3-6-14-13(12(2)23-18(11)14)9-10-22-19(24)15-7-4-8-16(20)17(15)21/h3-8,23H,9-10H2,1-2H3,(H,22,24)
InChIKeySVVRTKUYXSVUHN-UHFFFAOYSA-N
XLogP4.55
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.82
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide
CID 54776329
N-[2-(2,7-dimethyl-1H-indol-3-yl)ethyl]-4-phenoxybenzamide
CID 44624445
2,4-dichloro-N-[2-(7-chloro-2-methyl-1H-indol-3-yl)ethyl]-5-(dimethylsulfamoyl)benzamide
CID 1262101
N-[2-(2,7-dimethyl-1H-indol-3-yl)ethyl]-6-phenyl-1,2-dihydropyridine-5-carboxamide
CID 143932583
tert-butyl N-[2-(7-chloro-2-methyl-1H-indol-3-yl)ethyl]carbamate
CID 102125235
3-chloro-2-fluoro-N-nonylbenzamide
CID 91722725
3-chloro-2-fluoro-N-tetradecylbenzamide
CID 91722769
3-chloro-2-fluoro-N-(4-iodobutyl)benzamide
CID 106846240
N-[2-(4-chloro-2,7-dimethyl-1H-indol-3-yl)ethyl]-2-methylfuran-3-carboxamide
CID 39854653
2-chloro-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]benzamide
CID 113086116
ethyl 4-[(3-chloro-2-fluorobenzoyl)amino]butanoate
CID 80979995
3-(2,7-dimethyl-1H-indol-3-yl)-N-propan-2-ylpropan-1-amine
CID 96674967

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(2,7-dimethyl-1H-indol-3-yl)ethyl]-2-fluorobenzamide?
The IUPAC name of 3-chloro-N-[2-(2,7-dimethyl-1H-indol-3-yl)ethyl]-2-fluorobenzamide (CID 44624444) is 3-chloro-N-[2-(2,7-dimethyl-1H-indol-3-yl)ethyl]-2-fluorobenzamide.
What is the SMILES notation for 3-chloro-N-[2-(2,7-dimethyl-1H-indol-3-yl)ethyl]-2-fluorobenzamide?
The canonical SMILES for 3-chloro-N-[2-(2,7-dimethyl-1H-indol-3-yl)ethyl]-2-fluorobenzamide is Cc1[nH]c2c(C)cccc2c1CCNC(=O)c1cccc(Cl)c1F.
What is the InChIKey of 3-chloro-N-[2-(2,7-dimethyl-1H-indol-3-yl)ethyl]-2-fluorobenzamide?
The InChIKey is SVVRTKUYXSVUHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFN2O/c1-11-5-3-6-14-13(12(2)23-18(11)14)9-10-22-19(24)15-7-4-8-16(20)17(15)21/h3-8,23H,9-10H2,1-2H3,(H,22,24).
What are the key properties of 3-chloro-N-[2-(2,7-dimethyl-1H-indol-3-yl)ethyl]-2-fluorobenzamide?
3-chloro-N-[2-(2,7-dimethyl-1H-indol-3-yl)ethyl]-2-fluorobenzamide has a molecular weight of 344.82 g/mol, XLogP of 4.55, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(2,7-dimethyl-1H-indol-3-yl)ethyl]-2-fluorobenzamide is sourced from PubChem (CID 44624444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).