2-(3-chloro-4-fluorophenyl)-N-(7-ethyl-3,4,5,6-tetrahydronaphthalen-2-yl)acetamide

C20H21ClFNO — CID 163444721

IUPAC2-(3-chloro-4-fluorophenyl)-N-(7-ethyl-3,4,5,6-tetrahydronaphthalen-2-yl)acetamide
SMILESCCC1=CC2=C(CC1)CCC(NC(=O)Cc1ccc(F)c(Cl)c1)=C2
InChIInChI=1S/C20H21ClFNO/c1-2-13-3-5-15-6-7-17(12-16(15)9-13)23-20(24)11-14-4-8-19(22)18(21)10-14/h4,8-10,12H,2-3,5-7,11H2,1H3,(H,23,24)
InChIKeyBBNNSHWFKGCCPM-UHFFFAOYSA-N
MW345.85 g/mol
LogP5.24
Rot. Bonds4

About 2-(3-chloro-4-fluorophenyl)-N-(7-ethyl-3,4,5,6-tetrahydronaphthalen-2-yl)acetamide

2-(3-chloro-4-fluorophenyl)-N-(7-ethyl-3,4,5,6-tetrahydronaphthalen-2-yl)acetamide (PubChem CID 163444721) has the molecular formula C20H21ClFNO and a molecular weight of 345.85 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-N-(7-ethyl-3,4,5,6-tetrahydronaphthalen-2-yl)acetamide.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-N-(7-ethyl-3,4,5,6-tetrahydronaphthalen-2-yl)acetamide
PubChem CID163444721
Molecular FormulaC20H21ClFNO
Molecular Weight345.85 g/mol
Exact Mass345.13
IUPAC Name2-(3-chloro-4-fluorophenyl)-N-(7-ethyl-3,4,5,6-tetrahydronaphthalen-2-yl)acetamide
SMILESCCC1=CC2=C(CC1)CCC(NC(=O)Cc1ccc(F)c(Cl)c1)=C2
InChIInChI=1S/C20H21ClFNO/c1-2-13-3-5-15-6-7-17(12-16(15)9-13)23-20(24)11-14-4-8-19(22)18(21)10-14/h4,8-10,12H,2-3,5-7,11H2,1H3,(H,23,24)
InChIKeyBBNNSHWFKGCCPM-UHFFFAOYSA-N
XLogP5.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.85
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-chlorophenyl)-N-(2-methylbutan-2-yl)acetamide
CID 977625
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CID 10467173
N-tert-butyl-2-(2-chloro-6-fluorophenyl)acetamide
CID 841915
MAT-POS-bb423b95-6
CID 156907100
N-tert-butyl-2-(2-chlorophenyl)acetamide
CID 841916
N-tert-butyl-2-(4-chlorophenyl)acetamide
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N-[2-(3-chlorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 7048973
2-(4-chloro-2-fluorophenyl)-N-(1,1-dimethylpropyl)acetamide
CID 56922709
2-(2-chloro-6-fluorophenyl)-N-(4-phenylbutan-2-yl)acetamide
CID 4877522
N-[2-(3-chlorophenyl)propan-2-yl]-2-(2-fluorophenyl)acetamide
CID 12790318
2-Methyl-4-(3-chloro-4-fluorophenyl)-4,6,7,8-tetrahydro-5(1H)-quinolone
CID 19958937
9-(3-chloro-4-fluorophenyl)-3,4,5,6,7,8,9,10-octahydro-2H-acridin-1-one
CID 23223068

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-N-(7-ethyl-3,4,5,6-tetrahydronaphthalen-2-yl)acetamide?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-N-(7-ethyl-3,4,5,6-tetrahydronaphthalen-2-yl)acetamide (CID 163444721) is 2-(3-chloro-4-fluorophenyl)-N-(7-ethyl-3,4,5,6-tetrahydronaphthalen-2-yl)acetamide.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-N-(7-ethyl-3,4,5,6-tetrahydronaphthalen-2-yl)acetamide?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-N-(7-ethyl-3,4,5,6-tetrahydronaphthalen-2-yl)acetamide is CCC1=CC2=C(CC1)CCC(NC(=O)Cc1ccc(F)c(Cl)c1)=C2.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-N-(7-ethyl-3,4,5,6-tetrahydronaphthalen-2-yl)acetamide?
The InChIKey is BBNNSHWFKGCCPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClFNO/c1-2-13-3-5-15-6-7-17(12-16(15)9-13)23-20(24)11-14-4-8-19(22)18(21)10-14/h4,8-10,12H,2-3,5-7,11H2,1H3,(H,23,24).
What are the key properties of 2-(3-chloro-4-fluorophenyl)-N-(7-ethyl-3,4,5,6-tetrahydronaphthalen-2-yl)acetamide?
2-(3-chloro-4-fluorophenyl)-N-(7-ethyl-3,4,5,6-tetrahydronaphthalen-2-yl)acetamide has a molecular weight of 345.85 g/mol, XLogP of 5.24, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)-N-(7-ethyl-3,4,5,6-tetrahydronaphthalen-2-yl)acetamide is sourced from PubChem (CID 163444721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).