N-[(2-chloro-4-fluorophenyl)methyl]-2-(5-chloro-2-oxo-3H-indol-1-yl)acetamide

C17H13Cl2FN2O2 — CID 153410656

IUPACN-[(2-chloro-4-fluorophenyl)methyl]-2-(5-chloro-2-oxo-3H-indol-1-yl)acetamide
SMILESO=C(CN1C(=O)Cc2cc(Cl)ccc21)NCc1ccc(F)cc1Cl
InChIInChI=1S/C17H13Cl2FN2O2/c18-12-2-4-15-11(5-12)6-17(24)22(15)9-16(23)21-8-10-1-3-13(20)7-14(10)19/h1-5,7H,6,8-9H2,(H,21,23)
InChIKeyJYSHDXIBZCWHAM-UHFFFAOYSA-N
MW367.21 g/mol
LogP3.34
Rot. Bonds4

About N-[(2-chloro-4-fluorophenyl)methyl]-2-(5-chloro-2-oxo-3H-indol-1-yl)acetamide

N-[(2-chloro-4-fluorophenyl)methyl]-2-(5-chloro-2-oxo-3H-indol-1-yl)acetamide (PubChem CID 153410656) has the molecular formula C17H13Cl2FN2O2 and a molecular weight of 367.21 g/mol. Its IUPAC name is N-[(2-chloro-4-fluorophenyl)methyl]-2-(5-chloro-2-oxo-3H-indol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(2-chloro-4-fluorophenyl)methyl]-2-(5-chloro-2-oxo-3H-indol-1-yl)acetamide
PubChem CID153410656
Molecular FormulaC17H13Cl2FN2O2
Molecular Weight367.21 g/mol
Exact Mass366.03
IUPAC NameN-[(2-chloro-4-fluorophenyl)methyl]-2-(5-chloro-2-oxo-3H-indol-1-yl)acetamide
SMILESO=C(CN1C(=O)Cc2cc(Cl)ccc21)NCc1ccc(F)cc1Cl
InChIInChI=1S/C17H13Cl2FN2O2/c18-12-2-4-15-11(5-12)6-17(24)22(15)9-16(23)21-8-10-1-3-13(20)7-14(10)19/h1-5,7H,6,8-9H2,(H,21,23)
InChIKeyJYSHDXIBZCWHAM-UHFFFAOYSA-N
XLogP3.34
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.21
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-chloro-2-oxo-3H-indol-1-yl)-N-[2-(2-chlorophenyl)ethyl]acetamide
CID 67247022
2-(5-chloro-2-oxo-3H-indol-1-yl)-N-(1-hydroxybutan-2-yl)acetamide
CID 11335457
2-(2-chloro-4-fluorophenyl)-N-[(4-chloro-2-fluorophenyl)methyl]acetamide
CID 166226023
N-[(2,4-dichlorophenyl)methyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 8896722
1-[(2-chloro-4-fluorophenyl)methyl]-3-[(2,4-dichlorophenyl)methyl]thiourea
CID 3574054
N-[(2,4-dichlorophenyl)methyl]-2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7916685
2-(5-chloro-2-oxo-3H-indol-1-yl)-N-(3,4-dimethylphenyl)acetamide
CID 66761528
2-(5-chloro-2-oxo-3H-indol-1-yl)-N-(3-hydroxyphenyl)acetamide
CID 11336081
2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[(4-chlorophenyl)methyl]acetamide
CID 6621641
N-[(2,4-dichlorophenyl)methyl]-2-iodoacetamide
CID 70030657
(1R)-N-[(2-chloro-4-fluorophenyl)methyl]-2-ethyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide
CID 95096129
(1S)-N-[(2-chloro-4-fluorophenyl)methyl]-2-ethyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide
CID 95096128

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-2-(5-chloro-2-oxo-3H-indol-1-yl)acetamide?
The IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-2-(5-chloro-2-oxo-3H-indol-1-yl)acetamide (CID 153410656) is N-[(2-chloro-4-fluorophenyl)methyl]-2-(5-chloro-2-oxo-3H-indol-1-yl)acetamide.
What is the SMILES notation for N-[(2-chloro-4-fluorophenyl)methyl]-2-(5-chloro-2-oxo-3H-indol-1-yl)acetamide?
The canonical SMILES for N-[(2-chloro-4-fluorophenyl)methyl]-2-(5-chloro-2-oxo-3H-indol-1-yl)acetamide is O=C(CN1C(=O)Cc2cc(Cl)ccc21)NCc1ccc(F)cc1Cl.
What is the InChIKey of N-[(2-chloro-4-fluorophenyl)methyl]-2-(5-chloro-2-oxo-3H-indol-1-yl)acetamide?
The InChIKey is JYSHDXIBZCWHAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2FN2O2/c18-12-2-4-15-11(5-12)6-17(24)22(15)9-16(23)21-8-10-1-3-13(20)7-14(10)19/h1-5,7H,6,8-9H2,(H,21,23).
What are the key properties of N-[(2-chloro-4-fluorophenyl)methyl]-2-(5-chloro-2-oxo-3H-indol-1-yl)acetamide?
N-[(2-chloro-4-fluorophenyl)methyl]-2-(5-chloro-2-oxo-3H-indol-1-yl)acetamide has a molecular weight of 367.21 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-fluorophenyl)methyl]-2-(5-chloro-2-oxo-3H-indol-1-yl)acetamide is sourced from PubChem (CID 153410656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).