N-[4-[(1R)-1-[(2,5-difluorophenyl)methylamino]ethyl]phenyl]cyclopropanecarboxamide

C19H20F2N2O — CID 94193646

IUPACN-[4-[(1R)-1-[(2,5-difluorophenyl)methylamino]ethyl]phenyl]cyclopropanecarboxamide
SMILESC[C@@H](NCc1cc(F)ccc1F)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C19H20F2N2O/c1-12(22-11-15-10-16(20)6-9-18(15)21)13-4-7-17(8-5-13)23-19(24)14-2-3-14/h4-10,12,14,22H,2-3,11H2,1H3,(H,23,24)/t12-/m1/s1
InChIKeyGKEGQBZULHSFQH-GFCCVEGCSA-N
MW330.38 g/mol
LogP4.16
Rot. Bonds6

About N-[4-[(1R)-1-[(2,5-difluorophenyl)methylamino]ethyl]phenyl]cyclopropanecarboxamide

N-[4-[(1R)-1-[(2,5-difluorophenyl)methylamino]ethyl]phenyl]cyclopropanecarboxamide (PubChem CID 94193646) has the molecular formula C19H20F2N2O and a molecular weight of 330.38 g/mol. Its IUPAC name is N-[4-[(1R)-1-[(2,5-difluorophenyl)methylamino]ethyl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[(1R)-1-[(2,5-difluorophenyl)methylamino]ethyl]phenyl]cyclopropanecarboxamide
PubChem CID94193646
Molecular FormulaC19H20F2N2O
Molecular Weight330.38 g/mol
Exact Mass330.15
IUPAC NameN-[4-[(1R)-1-[(2,5-difluorophenyl)methylamino]ethyl]phenyl]cyclopropanecarboxamide
SMILESC[C@@H](NCc1cc(F)ccc1F)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C19H20F2N2O/c1-12(22-11-15-10-16(20)6-9-18(15)21)13-4-7-17(8-5-13)23-19(24)14-2-3-14/h4-10,12,14,22H,2-3,11H2,1H3,(H,23,24)/t12-/m1/s1
InChIKeyGKEGQBZULHSFQH-GFCCVEGCSA-N
XLogP4.16
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(1R)-1-[(2,5-difluorophenyl)methylamino]ethyl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[(1R)-1-[(2,5-difluorophenyl)methylamino]ethyl]phenyl]cyclopropanecarboxamide (CID 94193646) is N-[4-[(1R)-1-[(2,5-difluorophenyl)methylamino]ethyl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[(1R)-1-[(2,5-difluorophenyl)methylamino]ethyl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[(1R)-1-[(2,5-difluorophenyl)methylamino]ethyl]phenyl]cyclopropanecarboxamide is C[C@@H](NCc1cc(F)ccc1F)c1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of N-[4-[(1R)-1-[(2,5-difluorophenyl)methylamino]ethyl]phenyl]cyclopropanecarboxamide?
The InChIKey is GKEGQBZULHSFQH-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H20F2N2O/c1-12(22-11-15-10-16(20)6-9-18(15)21)13-4-7-17(8-5-13)23-19(24)14-2-3-14/h4-10,12,14,22H,2-3,11H2,1H3,(H,23,24)/t12-/m1/s1.
What are the key properties of N-[4-[(1R)-1-[(2,5-difluorophenyl)methylamino]ethyl]phenyl]cyclopropanecarboxamide?
N-[4-[(1R)-1-[(2,5-difluorophenyl)methylamino]ethyl]phenyl]cyclopropanecarboxamide has a molecular weight of 330.38 g/mol, XLogP of 4.16, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1R)-1-[(2,5-difluorophenyl)methylamino]ethyl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 94193646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).