2-(2-chloro-4-fluorophenyl)-N-[1-(diethylaminomethyl)cyclopropyl]acetamide

C16H22ClFN2O — CID 122570747

IUPAC2-(2-chloro-4-fluorophenyl)-N-[1-(diethylaminomethyl)cyclopropyl]acetamide
SMILESCCN(CC)CC1(NC(=O)Cc2ccc(F)cc2Cl)CC1
InChIInChI=1S/C16H22ClFN2O/c1-3-20(4-2)11-16(7-8-16)19-15(21)9-12-5-6-13(18)10-14(12)17/h5-6,10H,3-4,7-9,11H2,1-2H3,(H,19,21)
InChIKeyFWEOPZSGHVNQKH-UHFFFAOYSA-N
MW312.82 g/mol
LogP3.01
Rot. Bonds7

About 2-(2-chloro-4-fluorophenyl)-N-[1-(diethylaminomethyl)cyclopropyl]acetamide

2-(2-chloro-4-fluorophenyl)-N-[1-(diethylaminomethyl)cyclopropyl]acetamide (PubChem CID 122570747) has the molecular formula C16H22ClFN2O and a molecular weight of 312.82 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenyl)-N-[1-(diethylaminomethyl)cyclopropyl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenyl)-N-[1-(diethylaminomethyl)cyclopropyl]acetamide
PubChem CID122570747
Molecular FormulaC16H22ClFN2O
Molecular Weight312.82 g/mol
Exact Mass312.14
IUPAC Name2-(2-chloro-4-fluorophenyl)-N-[1-(diethylaminomethyl)cyclopropyl]acetamide
SMILESCCN(CC)CC1(NC(=O)Cc2ccc(F)cc2Cl)CC1
InChIInChI=1S/C16H22ClFN2O/c1-3-20(4-2)11-16(7-8-16)19-15(21)9-12-5-6-13(18)10-14(12)17/h5-6,10H,3-4,7-9,11H2,1-2H3,(H,19,21)
InChIKeyFWEOPZSGHVNQKH-UHFFFAOYSA-N
XLogP3.01
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.82
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chloro-4-fluorophenyl)methyl]-N',N'-diethylethane-1,2-diamine
CID 28580041
2-(2-chloro-4-fluorophenyl)-N-(cyanomethyl)acetamide
CID 126773085
2-(2-chloro-4-fluorophenyl)-N,N-dimethylacetamide
CID 126789693
2-(2-chloro-4-fluorophenyl)-1-(3-ethylpyrrolidin-3-yl)ethanone
CID 116570337
2-(2-chloro-4-fluorophenyl)-1-(1-ethoxycyclohexyl)ethanone
CID 116748475
2-(2-chloro-4-fluorophenyl)-N-(2,6-dioxopiperidin-1-yl)acetamide
CID 57222080
2-(2-chloro-4-fluorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanone
CID 116750372
2-(2-chloro-4-fluorophenyl)-N-[4-[[4-(dimethylamino)pyrimidin-2-yl]amino]cyclohexyl]acetamide
CID 23026769
2-chloro-N-[1-[(2,4-difluorophenyl)methyl]cyclopropyl]acetamide
CID 166408961
methyl 4-[[[2-(2-chloro-4-fluorophenyl)acetyl]amino]methyl]oxane-4-carboxylate
CID 122136775
2-[(2-chloro-4-fluorophenyl)methylamino]-N-methylacetamide
CID 43214947
2-(2-chloro-4-fluorophenyl)-N-[(4-chloro-2-fluorophenyl)methyl]acetamide
CID 166226023

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenyl)-N-[1-(diethylaminomethyl)cyclopropyl]acetamide?
The IUPAC name of 2-(2-chloro-4-fluorophenyl)-N-[1-(diethylaminomethyl)cyclopropyl]acetamide (CID 122570747) is 2-(2-chloro-4-fluorophenyl)-N-[1-(diethylaminomethyl)cyclopropyl]acetamide.
What is the SMILES notation for 2-(2-chloro-4-fluorophenyl)-N-[1-(diethylaminomethyl)cyclopropyl]acetamide?
The canonical SMILES for 2-(2-chloro-4-fluorophenyl)-N-[1-(diethylaminomethyl)cyclopropyl]acetamide is CCN(CC)CC1(NC(=O)Cc2ccc(F)cc2Cl)CC1.
What is the InChIKey of 2-(2-chloro-4-fluorophenyl)-N-[1-(diethylaminomethyl)cyclopropyl]acetamide?
The InChIKey is FWEOPZSGHVNQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClFN2O/c1-3-20(4-2)11-16(7-8-16)19-15(21)9-12-5-6-13(18)10-14(12)17/h5-6,10H,3-4,7-9,11H2,1-2H3,(H,19,21).
What are the key properties of 2-(2-chloro-4-fluorophenyl)-N-[1-(diethylaminomethyl)cyclopropyl]acetamide?
2-(2-chloro-4-fluorophenyl)-N-[1-(diethylaminomethyl)cyclopropyl]acetamide has a molecular weight of 312.82 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenyl)-N-[1-(diethylaminomethyl)cyclopropyl]acetamide is sourced from PubChem (CID 122570747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).