N-[(4-fluorophenyl)methyl]-1-phenylcyclopropane-1-carboxamide

C17H16FNO — CID 2540117

IUPACN-[(4-fluorophenyl)methyl]-1-phenylcyclopropane-1-carboxamide
SMILESO=C(NCc1ccc(F)cc1)C1(c2ccccc2)CC1
InChIInChI=1S/C17H16FNO/c18-15-8-6-13(7-9-15)12-19-16(20)17(10-11-17)14-4-2-1-3-5-14/h1-9H,10-12H2,(H,19,20)
InChIKeyAAPFEMCWAHHYHL-UHFFFAOYSA-N
MW269.32 g/mol
LogP3.17
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-1-phenylcyclopropane-1-carboxamide

N-[(4-fluorophenyl)methyl]-1-phenylcyclopropane-1-carboxamide (PubChem CID 2540117) has the molecular formula C17H16FNO and a molecular weight of 269.32 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-1-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-1-phenylcyclopropane-1-carboxamide
PubChem CID2540117
Molecular FormulaC17H16FNO
Molecular Weight269.32 g/mol
Exact Mass269.12
IUPAC NameN-[(4-fluorophenyl)methyl]-1-phenylcyclopropane-1-carboxamide
SMILESO=C(NCc1ccc(F)cc1)C1(c2ccccc2)CC1
InChIInChI=1S/C17H16FNO/c18-15-8-6-13(7-9-15)12-19-16(20)17(10-11-17)14-4-2-1-3-5-14/h1-9H,10-12H2,(H,19,20)
InChIKeyAAPFEMCWAHHYHL-UHFFFAOYSA-N
XLogP3.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-chlorophenyl)methyl]-1-phenylcyclopentane-1-carboxamide
CID 35571496
4-[[[4-(4-fluorophenyl)oxane-4-carbonyl]amino]methyl]benzoic acid
CID 119128001
4-[[(1-phenylcyclohexanecarbonyl)amino]methyl]benzoic acid
CID 134561755
N,N-diethyl-4-[[(1-phenylcyclopropanecarbonyl)amino]methyl]benzamide
CID 34833770
N-benzyl-1-[4-[(4-fluorophenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 146061872
N-(2-amino-2-oxoethyl)-4-[[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]methyl]benzamide
CID 60516608
1-(4-fluorophenyl)-N-[[3-(phenylmethoxymethyl)phenyl]methyl]cyclobutane-1-carboxamide
CID 60556255
N-benzyl-1-(3-bromophenyl)cyclopropane-1-carboxamide
CID 134034329
1-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]cyclobutane-1-carboxamide
CID 110438220
N-benzyl-1-[4-(propanoylamino)phenyl]cyclopropane-1-carboxamide
CID 50821432
1-(4-acetamidophenyl)-N-[(4-fluorophenyl)methyl]cyclobutane-1-carboxamide
CID 53110556
1-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 4782994

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-1-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-1-phenylcyclopropane-1-carboxamide (CID 2540117) is N-[(4-fluorophenyl)methyl]-1-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-1-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-1-phenylcyclopropane-1-carboxamide is O=C(NCc1ccc(F)cc1)C1(c2ccccc2)CC1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-1-phenylcyclopropane-1-carboxamide?
The InChIKey is AAPFEMCWAHHYHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO/c18-15-8-6-13(7-9-15)12-19-16(20)17(10-11-17)14-4-2-1-3-5-14/h1-9H,10-12H2,(H,19,20).
What are the key properties of N-[(4-fluorophenyl)methyl]-1-phenylcyclopropane-1-carboxamide?
N-[(4-fluorophenyl)methyl]-1-phenylcyclopropane-1-carboxamide has a molecular weight of 269.32 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-1-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 2540117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).