N-[[2-chloro-5-[(2,2-difluoroethylamino)methyl]phenyl]methyl]cyclopropanecarboxamide

C14H17ClF2N2O — CID 87415673

IUPACN-[[2-chloro-5-[(2,2-difluoroethylamino)methyl]phenyl]methyl]cyclopropanecarboxamide
SMILESO=C(NCc1cc(CNCC(F)F)ccc1Cl)C1CC1
InChIInChI=1S/C14H17ClF2N2O/c15-12-4-1-9(6-18-8-13(16)17)5-11(12)7-19-14(20)10-2-3-10/h1,4-5,10,13,18H,2-3,6-8H2,(H,19,20)
InChIKeyAPTRANWYINPYFL-UHFFFAOYSA-N
MW302.75 g/mol
LogP2.72
Rot. Bonds7

About N-[[2-chloro-5-[(2,2-difluoroethylamino)methyl]phenyl]methyl]cyclopropanecarboxamide

N-[[2-chloro-5-[(2,2-difluoroethylamino)methyl]phenyl]methyl]cyclopropanecarboxamide (PubChem CID 87415673) has the molecular formula C14H17ClF2N2O and a molecular weight of 302.75 g/mol. Its IUPAC name is N-[[2-chloro-5-[(2,2-difluoroethylamino)methyl]phenyl]methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[[2-chloro-5-[(2,2-difluoroethylamino)methyl]phenyl]methyl]cyclopropanecarboxamide
PubChem CID87415673
Molecular FormulaC14H17ClF2N2O
Molecular Weight302.75 g/mol
Exact Mass302.10
IUPAC NameN-[[2-chloro-5-[(2,2-difluoroethylamino)methyl]phenyl]methyl]cyclopropanecarboxamide
SMILESO=C(NCc1cc(CNCC(F)F)ccc1Cl)C1CC1
InChIInChI=1S/C14H17ClF2N2O/c15-12-4-1-9(6-18-8-13(16)17)5-11(12)7-19-14(20)10-2-3-10/h1,4-5,10,13,18H,2-3,6-8H2,(H,19,20)
InChIKeyAPTRANWYINPYFL-UHFFFAOYSA-N
XLogP2.72
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.75
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-chloro-3-[(cyclopropanecarbonylamino)methyl]phenyl]methyl]cyclopropanecarboxamide
CID 67479328
N-[[2-chloro-5-[3-(methylamino)-3-oxopropyl]phenyl]methyl]cyclopropanecarboxamide
CID 67479338
N-[(2-chlorophenyl)methyl]cyclopropanecarboxamide
CID 899098
N-[(4-chloro-3-nitrophenyl)methyl]cyclopropanecarboxamide
CID 90019905
N-[(2-chlorophenyl)methyl]cyclobutanecarboxamide
CID 17173308
N-[[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]cyclopropanecarboxamide
CID 140923263
N-[(2-chlorophenyl)methyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 53284707
N-[(5-bromo-2-chlorophenyl)methyl]-2,2-difluoroethanamine
CID 115406997
N-[2-[(2-chlorophenyl)methylamino]ethyl]cyclopropanecarboxamide
CID 113218812
3-chloro-4-[(cyclopropanecarbonylamino)methyl]-N-hydroxybenzenecarboximidoyl chloride
CID 87302947
N-[(2-chlorophenyl)methyl]thiane-4-carboxamide
CID 110851376
1-N-[(2-chlorophenyl)methyl]-4-N-(2-fluorophenyl)cyclohexane-1,4-dicarboxamide
CID 109148495

Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-5-[(2,2-difluoroethylamino)methyl]phenyl]methyl]cyclopropanecarboxamide?
The IUPAC name of N-[[2-chloro-5-[(2,2-difluoroethylamino)methyl]phenyl]methyl]cyclopropanecarboxamide (CID 87415673) is N-[[2-chloro-5-[(2,2-difluoroethylamino)methyl]phenyl]methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[[2-chloro-5-[(2,2-difluoroethylamino)methyl]phenyl]methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[[2-chloro-5-[(2,2-difluoroethylamino)methyl]phenyl]methyl]cyclopropanecarboxamide is O=C(NCc1cc(CNCC(F)F)ccc1Cl)C1CC1.
What is the InChIKey of N-[[2-chloro-5-[(2,2-difluoroethylamino)methyl]phenyl]methyl]cyclopropanecarboxamide?
The InChIKey is APTRANWYINPYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClF2N2O/c15-12-4-1-9(6-18-8-13(16)17)5-11(12)7-19-14(20)10-2-3-10/h1,4-5,10,13,18H,2-3,6-8H2,(H,19,20).
What are the key properties of N-[[2-chloro-5-[(2,2-difluoroethylamino)methyl]phenyl]methyl]cyclopropanecarboxamide?
N-[[2-chloro-5-[(2,2-difluoroethylamino)methyl]phenyl]methyl]cyclopropanecarboxamide has a molecular weight of 302.75 g/mol, XLogP of 2.72, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-chloro-5-[(2,2-difluoroethylamino)methyl]phenyl]methyl]cyclopropanecarboxamide is sourced from PubChem (CID 87415673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).