N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-fluorobenzamide

C17H15ClFNO — CID 42265696

IUPACN-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-fluorobenzamide
SMILESO=C(NCC1(c2ccc(Cl)cc2)CC1)c1ccccc1F
InChIInChI=1S/C17H15ClFNO/c18-13-7-5-12(6-8-13)17(9-10-17)11-20-16(21)14-3-1-2-4-15(14)19/h1-8H,9-11H2,(H,20,21)
InChIKeyYTFANPIMNZQKCA-UHFFFAOYSA-N
MW303.76 g/mol
LogP3.94
Rot. Bonds4

About N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-fluorobenzamide

N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-fluorobenzamide (PubChem CID 42265696) has the molecular formula C17H15ClFNO and a molecular weight of 303.76 g/mol. Its IUPAC name is N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-fluorobenzamide
PubChem CID42265696
Molecular FormulaC17H15ClFNO
Molecular Weight303.76 g/mol
Exact Mass303.08
IUPAC NameN-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-fluorobenzamide
SMILESO=C(NCC1(c2ccc(Cl)cc2)CC1)c1ccccc1F
InChIInChI=1S/C17H15ClFNO/c18-13-7-5-12(6-8-13)17(9-10-17)11-20-16(21)14-3-1-2-4-15(14)19/h1-8H,9-11H2,(H,20,21)
InChIKeyYTFANPIMNZQKCA-UHFFFAOYSA-N
XLogP3.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.76
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-6-fluoro-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]benzamide
CID 42266029
N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2-methylbenzamide
CID 27449030
4-chloro-5-fluoro-N-[(1-phenylcyclopropyl)methyl]pyridine-3-carboxamide
CID 126828456
2-bromo-5-chloro-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]benzamide
CID 78891040
N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-[(3S)-pyrrolidin-3-yl]benzamide
CID 95714688
2-chloro-N-[(1-phenylcyclopentyl)methyl]benzamide
CID 847347
N-[[1-(4-chlorophenyl)cyclopropyl]methyl]thiophene-2-carboxamide
CID 42265711
2-chloro-N-[[1-(3-chlorophenyl)cyclopropyl]methyl]-6-fluorobenzamide
CID 110445812
N-[[1-(4-chlorophenyl)cyclopropyl]methyl]pyridine-3-carboxamide
CID 113090713
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-hydroxy-3-methylbenzamide
CID 112835532
5-chloro-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-nitrobenzamide
CID 42266014
2-fluoro-N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]benzamide
CID 110444105

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-fluorobenzamide?
The IUPAC name of N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-fluorobenzamide (CID 42265696) is N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-fluorobenzamide.
What is the SMILES notation for N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-fluorobenzamide?
The canonical SMILES for N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-fluorobenzamide is O=C(NCC1(c2ccc(Cl)cc2)CC1)c1ccccc1F.
What is the InChIKey of N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-fluorobenzamide?
The InChIKey is YTFANPIMNZQKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFNO/c18-13-7-5-12(6-8-13)17(9-10-17)11-20-16(21)14-3-1-2-4-15(14)19/h1-8H,9-11H2,(H,20,21).
What are the key properties of N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-fluorobenzamide?
N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-fluorobenzamide has a molecular weight of 303.76 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-fluorobenzamide is sourced from PubChem (CID 42265696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).