N,N-bis[(4-fluorophenyl)methyl]cyclopropanecarboxamide

C18H17F2NO — CID 110190860

IUPACN,N-bis[(4-fluorophenyl)methyl]cyclopropanecarboxamide
SMILESO=C(C1CC1)N(Cc1ccc(F)cc1)Cc1ccc(F)cc1
InChIInChI=1S/C18H17F2NO/c19-16-7-1-13(2-8-16)11-21(18(22)15-5-6-15)12-14-3-9-17(20)10-4-14/h1-4,7-10,15H,5-6,11-12H2
InChIKeyFSEZFTHVCYCETC-UHFFFAOYSA-N
MW301.34 g/mol
LogP3.90
Rot. Bonds5

About N,N-bis[(4-fluorophenyl)methyl]cyclopropanecarboxamide

N,N-bis[(4-fluorophenyl)methyl]cyclopropanecarboxamide (PubChem CID 110190860) has the molecular formula C18H17F2NO and a molecular weight of 301.34 g/mol. Its IUPAC name is N,N-bis[(4-fluorophenyl)methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN,N-bis[(4-fluorophenyl)methyl]cyclopropanecarboxamide
PubChem CID110190860
Molecular FormulaC18H17F2NO
Molecular Weight301.34 g/mol
Exact Mass301.13
IUPAC NameN,N-bis[(4-fluorophenyl)methyl]cyclopropanecarboxamide
SMILESO=C(C1CC1)N(Cc1ccc(F)cc1)Cc1ccc(F)cc1
InChIInChI=1S/C18H17F2NO/c19-16-7-1-13(2-8-16)11-21(18(22)15-5-6-15)12-14-3-9-17(20)10-4-14/h1-4,7-10,15H,5-6,11-12H2
InChIKeyFSEZFTHVCYCETC-UHFFFAOYSA-N
XLogP3.90
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-N-[(4-fluorophenyl)methyl]cyclopentanecarboxamide
CID 91410350
[4-[[cyclohexanecarbonyl-[(4-fluorophenyl)methyl]amino]methyl]phenyl] methanesulfonate
CID 4009140
N,N-dibenzylcyclohexanecarboxamide
CID 1371794
4-N,4-N-diethyl-1-N-[(4-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148420
N-[(2-chloro-6-methoxyquinolin-3-yl)methyl]-N-[(4-fluorophenyl)methyl]cyclopropanecarboxamide
CID 43813618
2-[(4-fluorophenyl)methyl-[(3R)-oxane-3-carbonyl]amino]acetic acid
CID 129468876
[3-[[cyclobutanecarbonyl-[(4-fluorophenyl)methyl]amino]methyl]phenyl] 4-fluorobenzenesulfonate
CID 71955458
N-[(4-fluorophenyl)methyl]-N-[(4-oxochromen-3-yl)methyl]cyclopentanecarboxamide
CID 7271249
N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]cyclopropanecarboxamide
CID 60912130
2-[(4-chlorophenyl)methyl-(cyclopropanecarbonyl)amino]acetic acid
CID 119193487
N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]ethyl]-N-[(4-fluorophenyl)methyl]cyclopropanecarboxamide
CID 42709840
N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[(4-fluorophenyl)methyl]cyclohexanecarboxamide
CID 1458884

Frequently Asked Questions

What is the IUPAC name of N,N-bis[(4-fluorophenyl)methyl]cyclopropanecarboxamide?
The IUPAC name of N,N-bis[(4-fluorophenyl)methyl]cyclopropanecarboxamide (CID 110190860) is N,N-bis[(4-fluorophenyl)methyl]cyclopropanecarboxamide.
What is the SMILES notation for N,N-bis[(4-fluorophenyl)methyl]cyclopropanecarboxamide?
The canonical SMILES for N,N-bis[(4-fluorophenyl)methyl]cyclopropanecarboxamide is O=C(C1CC1)N(Cc1ccc(F)cc1)Cc1ccc(F)cc1.
What is the InChIKey of N,N-bis[(4-fluorophenyl)methyl]cyclopropanecarboxamide?
The InChIKey is FSEZFTHVCYCETC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2NO/c19-16-7-1-13(2-8-16)11-21(18(22)15-5-6-15)12-14-3-9-17(20)10-4-14/h1-4,7-10,15H,5-6,11-12H2.
What are the key properties of N,N-bis[(4-fluorophenyl)methyl]cyclopropanecarboxamide?
N,N-bis[(4-fluorophenyl)methyl]cyclopropanecarboxamide has a molecular weight of 301.34 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[(4-fluorophenyl)methyl]cyclopropanecarboxamide is sourced from PubChem (CID 110190860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).