1-[(2-chloro-6-fluorophenyl)methyl]cyclopropane-1-carboxamide

C11H11ClFNO — CID 67421202

IUPAC1-[(2-chloro-6-fluorophenyl)methyl]cyclopropane-1-carboxamide
SMILESNC(=O)C1(Cc2c(F)cccc2Cl)CC1
InChIInChI=1S/C11H11ClFNO/c12-8-2-1-3-9(13)7(8)6-11(4-5-11)10(14)15/h1-3H,4-6H2,(H2,14,15)
InChIKeyLDIZRXRDYKSEQD-UHFFFAOYSA-N
MW227.67 g/mol
LogP2.29
Rot. Bonds3

About 1-[(2-chloro-6-fluorophenyl)methyl]cyclopropane-1-carboxamide

1-[(2-chloro-6-fluorophenyl)methyl]cyclopropane-1-carboxamide (PubChem CID 67421202) has the molecular formula C11H11ClFNO and a molecular weight of 227.67 g/mol. Its IUPAC name is 1-[(2-chloro-6-fluorophenyl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[(2-chloro-6-fluorophenyl)methyl]cyclopropane-1-carboxamide
PubChem CID67421202
Molecular FormulaC11H11ClFNO
Molecular Weight227.67 g/mol
Exact Mass227.05
IUPAC Name1-[(2-chloro-6-fluorophenyl)methyl]cyclopropane-1-carboxamide
SMILESNC(=O)C1(Cc2c(F)cccc2Cl)CC1
InChIInChI=1S/C11H11ClFNO/c12-8-2-1-3-9(13)7(8)6-11(4-5-11)10(14)15/h1-3H,4-6H2,(H2,14,15)
InChIKeyLDIZRXRDYKSEQD-UHFFFAOYSA-N
XLogP2.29
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.67
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-ol
CID 62786575
1-(1-aminocyclopropyl)-2-(2-chloro-6-fluorophenyl)ethanone
CID 116576500
[1-[(2-chloro-6-fluorophenyl)methyl]cyclobutyl]methanol
CID 66024328
[1-[(2-chloro-6-fluorophenyl)methyl]cyclopentyl]methanol
CID 66026117
1-[(2-chloro-6-fluorophenyl)methyl]-4-propylcyclohexane-1-carboxylic acid
CID 65425291
2-(2-chloro-6-fluorophenyl)-N-[(4-hydroxythian-4-yl)methyl]acetamide
CID 111484750
ethyl 1-[(2,6-dichlorophenyl)methyl]cyclopropane-1-carboxylate
CID 125471436
1-[[[2-(2-chloro-6-fluorophenyl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 113311909
1-[(2-chloro-6-fluorophenyl)methyl]-4-propan-2-ylcyclohexan-1-ol
CID 55188464
4-[(2-chloro-6-fluorophenyl)methyl]-4-fluorocyclohexan-1-amine
CID 112562293
3-acetyl-3-[(2-chloro-6-fluorophenyl)methyl]oxolan-2-one
CID 103343684
3-amino-2-[(2-chloro-6-fluorophenyl)methyl]-2-methyl-3-oxopropanoic acid
CID 114899828

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]cyclopropane-1-carboxamide (CID 67421202) is 1-[(2-chloro-6-fluorophenyl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-[(2-chloro-6-fluorophenyl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-[(2-chloro-6-fluorophenyl)methyl]cyclopropane-1-carboxamide is NC(=O)C1(Cc2c(F)cccc2Cl)CC1.
What is the InChIKey of 1-[(2-chloro-6-fluorophenyl)methyl]cyclopropane-1-carboxamide?
The InChIKey is LDIZRXRDYKSEQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFNO/c12-8-2-1-3-9(13)7(8)6-11(4-5-11)10(14)15/h1-3H,4-6H2,(H2,14,15).
What are the key properties of 1-[(2-chloro-6-fluorophenyl)methyl]cyclopropane-1-carboxamide?
1-[(2-chloro-6-fluorophenyl)methyl]cyclopropane-1-carboxamide has a molecular weight of 227.67 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-6-fluorophenyl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 67421202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).