3-chloro-N-[2-(5-fluoro-1H-indol-3-yl)-2-methylpropyl]benzamide

C19H18ClFN2O — CID 113084202

IUPAC3-chloro-N-[2-(5-fluoro-1H-indol-3-yl)-2-methylpropyl]benzamide
SMILESCC(C)(CNC(=O)c1cccc(Cl)c1)c1c[nH]c2ccc(F)cc12
InChIInChI=1S/C19H18ClFN2O/c1-19(2,11-23-18(24)12-4-3-5-13(20)8-12)16-10-22-17-7-6-14(21)9-15(16)17/h3-10,22H,11H2,1-2H3,(H,23,24)
InChIKeyDPLRDEWJNWRTMU-UHFFFAOYSA-N
MW344.82 g/mol
LogP4.67
Rot. Bonds4

About 3-chloro-N-[2-(5-fluoro-1H-indol-3-yl)-2-methylpropyl]benzamide

3-chloro-N-[2-(5-fluoro-1H-indol-3-yl)-2-methylpropyl]benzamide (PubChem CID 113084202) has the molecular formula C19H18ClFN2O and a molecular weight of 344.82 g/mol. Its IUPAC name is 3-chloro-N-[2-(5-fluoro-1H-indol-3-yl)-2-methylpropyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[2-(5-fluoro-1H-indol-3-yl)-2-methylpropyl]benzamide
PubChem CID113084202
Molecular FormulaC19H18ClFN2O
Molecular Weight344.82 g/mol
Exact Mass344.11
IUPAC Name3-chloro-N-[2-(5-fluoro-1H-indol-3-yl)-2-methylpropyl]benzamide
SMILESCC(C)(CNC(=O)c1cccc(Cl)c1)c1c[nH]c2ccc(F)cc12
InChIInChI=1S/C19H18ClFN2O/c1-19(2,11-23-18(24)12-4-3-5-13(20)8-12)16-10-22-17-7-6-14(21)9-15(16)17/h3-10,22H,11H2,1-2H3,(H,23,24)
InChIKeyDPLRDEWJNWRTMU-UHFFFAOYSA-N
XLogP4.67
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 ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(5-fluoro-1H-indol-3-yl)-2-methylpropyl]-2-(3-fluorophenyl)acetamide
CID 113084215
2-ethyl-N-[2-(5-fluoro-1H-indol-3-yl)-2-methylpropyl]butanamide
CID 113084172
1-[2-(5-fluoro-1H-indol-3-yl)-2-methylpropyl]-3-phenylurea
CID 113084219
N-[2-(5-methoxy-1H-indol-3-yl)-2-methylpropyl]benzamide
CID 113084348
tert-butyl N-[2-(5-chloro-1H-indol-3-yl)-2-methylpropyl]carbamate
CID 113084309
(3-chlorophenyl)-(5-fluoro-1H-indol-3-yl)methanone
CID 53414472
N-[2-(5-chloro-1H-indol-3-yl)-2-methylpropyl]-2-thiophen-2-ylacetamide
CID 113084290
N-[2-(5-chloro-1H-indol-3-yl)-2-methylpropyl]-4-fluorobenzenesulfonamide
CID 113084321
3-fluoro-N-[3-[(3-fluorobenzoyl)amino]-2,2-dimethylpropyl]benzamide
CID 2168496
2-(5-chloro-1H-indol-3-yl)-N-(3-fluorophenyl)-2-methylpropanamide
CID 113210111
N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]-2-thiophen-2-ylacetamide
CID 113084455
N-(4-bromo-2,2-dimethylbutyl)-3-chlorobenzamide
CID 106143855

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(5-fluoro-1H-indol-3-yl)-2-methylpropyl]benzamide?
The IUPAC name of 3-chloro-N-[2-(5-fluoro-1H-indol-3-yl)-2-methylpropyl]benzamide (CID 113084202) is 3-chloro-N-[2-(5-fluoro-1H-indol-3-yl)-2-methylpropyl]benzamide.
What is the SMILES notation for 3-chloro-N-[2-(5-fluoro-1H-indol-3-yl)-2-methylpropyl]benzamide?
The canonical SMILES for 3-chloro-N-[2-(5-fluoro-1H-indol-3-yl)-2-methylpropyl]benzamide is CC(C)(CNC(=O)c1cccc(Cl)c1)c1c[nH]c2ccc(F)cc12.
What is the InChIKey of 3-chloro-N-[2-(5-fluoro-1H-indol-3-yl)-2-methylpropyl]benzamide?
The InChIKey is DPLRDEWJNWRTMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFN2O/c1-19(2,11-23-18(24)12-4-3-5-13(20)8-12)16-10-22-17-7-6-14(21)9-15(16)17/h3-10,22H,11H2,1-2H3,(H,23,24).
What are the key properties of 3-chloro-N-[2-(5-fluoro-1H-indol-3-yl)-2-methylpropyl]benzamide?
3-chloro-N-[2-(5-fluoro-1H-indol-3-yl)-2-methylpropyl]benzamide has a molecular weight of 344.82 g/mol, XLogP of 4.67, 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-(5-fluoro-1H-indol-3-yl)-2-methylpropyl]benzamide is sourced from PubChem (CID 113084202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).