N-[[1-(4-chloro-2-fluorophenyl)cyclopropyl]methyl]formamide

C11H11ClFNO — CID 110477177

IUPACN-[[1-(4-chloro-2-fluorophenyl)cyclopropyl]methyl]formamide
SMILESO=CNCC1(c2ccc(Cl)cc2F)CC1
InChIInChI=1S/C11H11ClFNO/c12-8-1-2-9(10(13)5-8)11(3-4-11)6-14-7-15/h1-2,5,7H,3-4,6H2,(H,14,15)
InChIKeyATXYHKFCCHZKHN-UHFFFAOYSA-N
MW227.67 g/mol
LogP2.26
Rot. Bonds4

About N-[[1-(4-chloro-2-fluorophenyl)cyclopropyl]methyl]formamide

N-[[1-(4-chloro-2-fluorophenyl)cyclopropyl]methyl]formamide (PubChem CID 110477177) has the molecular formula C11H11ClFNO and a molecular weight of 227.67 g/mol. Its IUPAC name is N-[[1-(4-chloro-2-fluorophenyl)cyclopropyl]methyl]formamide.

Molecular Properties

Compound NameN-[[1-(4-chloro-2-fluorophenyl)cyclopropyl]methyl]formamide
PubChem CID110477177
Molecular FormulaC11H11ClFNO
Molecular Weight227.67 g/mol
Exact Mass227.05
IUPAC NameN-[[1-(4-chloro-2-fluorophenyl)cyclopropyl]methyl]formamide
SMILESO=CNCC1(c2ccc(Cl)cc2F)CC1
InChIInChI=1S/C11H11ClFNO/c12-8-1-2-9(10(13)5-8)11(3-4-11)6-14-7-15/h1-2,5,7H,3-4,6H2,(H,14,15)
InChIKeyATXYHKFCCHZKHN-UHFFFAOYSA-N
XLogP2.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.67
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-(2-fluorophenyl)cyclopropyl]methyl]formamide
CID 110477207
N-[(4-chloro-2-fluorophenyl)methyl]formamide
CID 88924911
4-chloro-2-fluoro-1-(1-methylcyclohexyl)benzene
CID 175792533
1-(4-chloro-2-fluorophenyl)cyclobutane-1-carboxylic acid
CID 83412485
4-[1-(4-chloro-2-fluorophenyl)cyclobutyl]-N,N-dimethylbutan-1-amine
CID 69397295
4-(4-chloro-2-fluorophenyl)-4-methylpiperidine
CID 131580444
N-[[1-(2,4-difluorophenyl)cyclobutyl]methyl]propan-2-amine
CID 64560260
N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]formamide
CID 110477111
1-(5-chloro-2-fluorophenyl)cyclobutane-1-carbaldehyde
CID 83806101
ethyl N-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]carbamate
CID 110479352
ethyl N-[1-(4-chloro-2-fluorophenyl)cyclopropyl]carbamate
CID 110479350
N-[[1-(2,4-dichlorophenyl)cyclobutyl]methyl]-2-methylpropan-1-amine
CID 55195361

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-chloro-2-fluorophenyl)cyclopropyl]methyl]formamide?
The IUPAC name of N-[[1-(4-chloro-2-fluorophenyl)cyclopropyl]methyl]formamide (CID 110477177) is N-[[1-(4-chloro-2-fluorophenyl)cyclopropyl]methyl]formamide.
What is the SMILES notation for N-[[1-(4-chloro-2-fluorophenyl)cyclopropyl]methyl]formamide?
The canonical SMILES for N-[[1-(4-chloro-2-fluorophenyl)cyclopropyl]methyl]formamide is O=CNCC1(c2ccc(Cl)cc2F)CC1.
What is the InChIKey of N-[[1-(4-chloro-2-fluorophenyl)cyclopropyl]methyl]formamide?
The InChIKey is ATXYHKFCCHZKHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFNO/c12-8-1-2-9(10(13)5-8)11(3-4-11)6-14-7-15/h1-2,5,7H,3-4,6H2,(H,14,15).
What are the key properties of N-[[1-(4-chloro-2-fluorophenyl)cyclopropyl]methyl]formamide?
N-[[1-(4-chloro-2-fluorophenyl)cyclopropyl]methyl]formamide has a molecular weight of 227.67 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-chloro-2-fluorophenyl)cyclopropyl]methyl]formamide is sourced from PubChem (CID 110477177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).