2-chloro-N-[2-(5,6,7-trifluoro-1H-indol-3-yl)ethyl]acetamide

C12H10ClF3N2O — CID 146100755

IUPAC2-chloro-N-[2-(5,6,7-trifluoro-1H-indol-3-yl)ethyl]acetamide
SMILESO=C(CCl)NCCc1c[nH]c2c(F)c(F)c(F)cc12
InChIInChI=1S/C12H10ClF3N2O/c13-4-9(19)17-2-1-6-5-18-12-7(6)3-8(14)10(15)11(12)16/h3,5,18H,1-2,4H2,(H,17,19)
InChIKeyCBXZPKKNEGHATB-UHFFFAOYSA-N
MW290.67 g/mol
LogP2.48
Rot. Bonds4

About 2-chloro-N-[2-(5,6,7-trifluoro-1H-indol-3-yl)ethyl]acetamide

2-chloro-N-[2-(5,6,7-trifluoro-1H-indol-3-yl)ethyl]acetamide (PubChem CID 146100755) has the molecular formula C12H10ClF3N2O and a molecular weight of 290.67 g/mol. Its IUPAC name is 2-chloro-N-[2-(5,6,7-trifluoro-1H-indol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[2-(5,6,7-trifluoro-1H-indol-3-yl)ethyl]acetamide
PubChem CID146100755
Molecular FormulaC12H10ClF3N2O
Molecular Weight290.67 g/mol
Exact Mass290.04
IUPAC Name2-chloro-N-[2-(5,6,7-trifluoro-1H-indol-3-yl)ethyl]acetamide
SMILESO=C(CCl)NCCc1c[nH]c2c(F)c(F)c(F)cc12
InChIInChI=1S/C12H10ClF3N2O/c13-4-9(19)17-2-1-6-5-18-12-7(6)3-8(14)10(15)11(12)16/h3,5,18H,1-2,4H2,(H,17,19)
InChIKeyCBXZPKKNEGHATB-UHFFFAOYSA-N
XLogP2.48
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.67
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[2-(5-methyl-1H-indol-3-yl)ethyl]acetamide
CID 17339304
1-(diaminomethylidene)-2-[2-(5,6,7-trifluoro-1H-indol-3-yl)ethyl]guanidine
CID 146250279
2-chloro-N-[2-(3-chloro-2-fluorophenyl)ethyl]acetamide
CID 166409215
N-[2-(5,7-dimethyl-1H-indol-3-yl)ethyl]acetamide
CID 167080571
3-chloro-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 588711
N-[2-[7-[4-(2-chloroacetyl)piperazine-1-carbonyl]-5-fluoro-1H-indol-3-yl]ethyl]acetamide
CID 154706306
2-amino-N-[2-(2,3,4-trifluorophenyl)ethyl]acetamide
CID 110477577
2-chloro-N-[2-(6-chloro-1H-indol-3-yl)ethyl]-6-fluorobenzamide
CID 113083839
2-chloro-N-[(4-fluorophenyl)methyl]acetamide
CID 2303709
N-[2-(7-chloro-6-fluoro-5-methoxy-2-methyl-1H-indol-3-yl)ethyl]acetamide;N-[2-(6,7-dichloro-5-methoxy-1H-indol-3-yl)ethyl]propanamide
CID 67703123
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-(3-fluorophenyl)acetamide
CID 110731491
N-[2-(2,4-dichlorophenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide
CID 113209285

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(5,6,7-trifluoro-1H-indol-3-yl)ethyl]acetamide?
The IUPAC name of 2-chloro-N-[2-(5,6,7-trifluoro-1H-indol-3-yl)ethyl]acetamide (CID 146100755) is 2-chloro-N-[2-(5,6,7-trifluoro-1H-indol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-chloro-N-[2-(5,6,7-trifluoro-1H-indol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-chloro-N-[2-(5,6,7-trifluoro-1H-indol-3-yl)ethyl]acetamide is O=C(CCl)NCCc1c[nH]c2c(F)c(F)c(F)cc12.
What is the InChIKey of 2-chloro-N-[2-(5,6,7-trifluoro-1H-indol-3-yl)ethyl]acetamide?
The InChIKey is CBXZPKKNEGHATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClF3N2O/c13-4-9(19)17-2-1-6-5-18-12-7(6)3-8(14)10(15)11(12)16/h3,5,18H,1-2,4H2,(H,17,19).
What are the key properties of 2-chloro-N-[2-(5,6,7-trifluoro-1H-indol-3-yl)ethyl]acetamide?
2-chloro-N-[2-(5,6,7-trifluoro-1H-indol-3-yl)ethyl]acetamide has a molecular weight of 290.67 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(5,6,7-trifluoro-1H-indol-3-yl)ethyl]acetamide is sourced from PubChem (CID 146100755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).