N-[(4-chlorophenyl)methyl]-5-fluoro-N-(3-hydroxypropyl)-1-methylindole-2-carboxamide

C20H20ClFN2O2 — CID 77098241

IUPACN-[(4-chlorophenyl)methyl]-5-fluoro-N-(3-hydroxypropyl)-1-methylindole-2-carboxamide
SMILESCn1c(C(=O)N(CCCO)Cc2ccc(Cl)cc2)cc2cc(F)ccc21
InChIInChI=1S/C20H20ClFN2O2/c1-23-18-8-7-17(22)11-15(18)12-19(23)20(26)24(9-2-10-25)13-14-3-5-16(21)6-4-14/h3-8,11-12,25H,2,9-10,13H2,1H3
InChIKeyMLYWZHJZKMUYOE-UHFFFAOYSA-N
MW374.84 g/mol
LogP4.00
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-5-fluoro-N-(3-hydroxypropyl)-1-methylindole-2-carboxamide

N-[(4-chlorophenyl)methyl]-5-fluoro-N-(3-hydroxypropyl)-1-methylindole-2-carboxamide (PubChem CID 77098241) has the molecular formula C20H20ClFN2O2 and a molecular weight of 374.84 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-5-fluoro-N-(3-hydroxypropyl)-1-methylindole-2-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-5-fluoro-N-(3-hydroxypropyl)-1-methylindole-2-carboxamide
PubChem CID77098241
Molecular FormulaC20H20ClFN2O2
Molecular Weight374.84 g/mol
Exact Mass374.12
IUPAC NameN-[(4-chlorophenyl)methyl]-5-fluoro-N-(3-hydroxypropyl)-1-methylindole-2-carboxamide
SMILESCn1c(C(=O)N(CCCO)Cc2ccc(Cl)cc2)cc2cc(F)ccc21
InChIInChI=1S/C20H20ClFN2O2/c1-23-18-8-7-17(22)11-15(18)12-19(23)20(26)24(9-2-10-25)13-14-3-5-16(21)6-4-14/h3-8,11-12,25H,2,9-10,13H2,1H3
InChIKeyMLYWZHJZKMUYOE-UHFFFAOYSA-N
XLogP4.00
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.84
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-5-fluoro-N-(3-hydroxypropyl)-1-methylindole-2-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-5-fluoro-N-(3-hydroxypropyl)-1-methylindole-2-carboxamide (CID 77098241) is N-[(4-chlorophenyl)methyl]-5-fluoro-N-(3-hydroxypropyl)-1-methylindole-2-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-5-fluoro-N-(3-hydroxypropyl)-1-methylindole-2-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-5-fluoro-N-(3-hydroxypropyl)-1-methylindole-2-carboxamide is Cn1c(C(=O)N(CCCO)Cc2ccc(Cl)cc2)cc2cc(F)ccc21.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-5-fluoro-N-(3-hydroxypropyl)-1-methylindole-2-carboxamide?
The InChIKey is MLYWZHJZKMUYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClFN2O2/c1-23-18-8-7-17(22)11-15(18)12-19(23)20(26)24(9-2-10-25)13-14-3-5-16(21)6-4-14/h3-8,11-12,25H,2,9-10,13H2,1H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-5-fluoro-N-(3-hydroxypropyl)-1-methylindole-2-carboxamide?
N-[(4-chlorophenyl)methyl]-5-fluoro-N-(3-hydroxypropyl)-1-methylindole-2-carboxamide has a molecular weight of 374.84 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-5-fluoro-N-(3-hydroxypropyl)-1-methylindole-2-carboxamide is sourced from PubChem (CID 77098241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).