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

C11H10ClFN2O — CID 145222330

IUPACN-[(3-chloro-4-fluoro-1H-indol-5-yl)methyl]acetamide
SMILESCC(=O)NCc1ccc2[nH]cc(Cl)c2c1F
InChIInChI=1S/C11H10ClFN2O/c1-6(16)14-4-7-2-3-9-10(11(7)13)8(12)5-15-9/h2-3,5,15H,4H2,1H3,(H,14,16)
InChIKeyOIMMIBLNNVHFSY-UHFFFAOYSA-N
MW240.66 g/mol
LogP2.60
Rot. Bonds2

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

N-[(3-chloro-4-fluoro-1H-indol-5-yl)methyl]acetamide (PubChem CID 145222330) has the molecular formula C11H10ClFN2O and a molecular weight of 240.66 g/mol. Its IUPAC name is N-[(3-chloro-4-fluoro-1H-indol-5-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(3-chloro-4-fluoro-1H-indol-5-yl)methyl]acetamide
PubChem CID145222330
Molecular FormulaC11H10ClFN2O
Molecular Weight240.66 g/mol
Exact Mass240.05
IUPAC NameN-[(3-chloro-4-fluoro-1H-indol-5-yl)methyl]acetamide
SMILESCC(=O)NCc1ccc2[nH]cc(Cl)c2c1F
InChIInChI=1S/C11H10ClFN2O/c1-6(16)14-4-7-2-3-9-10(11(7)13)8(12)5-15-9/h2-3,5,15H,4H2,1H3,(H,14,16)
InChIKeyOIMMIBLNNVHFSY-UHFFFAOYSA-N
XLogP2.60
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.66
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[4-(chloromethyl)-2,3-difluorophenyl]methyl]acetamide
CID 118212780
3-chloro-5-ethyl-4-fluoro-1H-indole;(3-chloro-4-fluoro-1H-indol-5-yl)methanamine;methane;hydrochloride
CID 157152744
N-[(4-ethyl-2,3-difluorophenyl)methyl]acetamide
CID 123262796
tert-butyl N-[(4-fluoro-3-methyl-1H-indol-5-yl)methyl]carbamate
CID 145002119
N-[(3-chloro-4-fluoro-1H-indol-5-yl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-1,3-oxazole-5-carboxamide
CID 139330305
N-[2-(4,5-difluoro-1H-indol-3-yl)ethyl]acetamide
CID 162744824
5-[[4-(acetamidomethyl)-2,3-difluorophenyl]methyl]-N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]pyridine-3-carboxamide
CID 118212905
N-[(3-chloro-4-fluoro-1H-indol-5-yl)methyl]-5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-3-carboxamide
CID 118212944
1-(4,5-dichloro-1H-indol-3-yl)propan-2-one
CID 82622105
2-(4-chloro-3-methyl-1H-indol-5-yl)acetic acid
CID 174764483
3-chloro-6-[[4-[(3-chloro-4-fluoro-1H-indol-5-yl)methylcarbamoyl]-2-pyridinyl]methyl]quinoline-8-carboxamide;ethane
CID 145002044
N-[(2-chloro-4-methylphenyl)methyl]acetamide
CID 91098777

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-fluoro-1H-indol-5-yl)methyl]acetamide?
The IUPAC name of N-[(3-chloro-4-fluoro-1H-indol-5-yl)methyl]acetamide (CID 145222330) is N-[(3-chloro-4-fluoro-1H-indol-5-yl)methyl]acetamide.
What is the SMILES notation for N-[(3-chloro-4-fluoro-1H-indol-5-yl)methyl]acetamide?
The canonical SMILES for N-[(3-chloro-4-fluoro-1H-indol-5-yl)methyl]acetamide is CC(=O)NCc1ccc2[nH]cc(Cl)c2c1F.
What is the InChIKey of N-[(3-chloro-4-fluoro-1H-indol-5-yl)methyl]acetamide?
The InChIKey is OIMMIBLNNVHFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN2O/c1-6(16)14-4-7-2-3-9-10(11(7)13)8(12)5-15-9/h2-3,5,15H,4H2,1H3,(H,14,16).
What are the key properties of N-[(3-chloro-4-fluoro-1H-indol-5-yl)methyl]acetamide?
N-[(3-chloro-4-fluoro-1H-indol-5-yl)methyl]acetamide has a molecular weight of 240.66 g/mol, XLogP of 2.60, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-fluoro-1H-indol-5-yl)methyl]acetamide is sourced from PubChem (CID 145222330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).