N-[(1-aminocyclohexyl)methyl]-2-(2,4-difluorophenyl)acetamide

C15H20F2N2O — CID 119404549

IUPACN-[(1-aminocyclohexyl)methyl]-2-(2,4-difluorophenyl)acetamide
SMILESNC1(CNC(=O)Cc2ccc(F)cc2F)CCCCC1
InChIInChI=1S/C15H20F2N2O/c16-12-5-4-11(13(17)9-12)8-14(20)19-10-15(18)6-2-1-3-7-15/h4-5,9H,1-3,6-8,10,18H2,(H,19,20)
InChIKeyZISRXCCLOWZAQY-UHFFFAOYSA-N
MW282.33 g/mol
LogP2.29
Rot. Bonds4

About N-[(1-aminocyclohexyl)methyl]-2-(2,4-difluorophenyl)acetamide

N-[(1-aminocyclohexyl)methyl]-2-(2,4-difluorophenyl)acetamide (PubChem CID 119404549) has the molecular formula C15H20F2N2O and a molecular weight of 282.33 g/mol. Its IUPAC name is N-[(1-aminocyclohexyl)methyl]-2-(2,4-difluorophenyl)acetamide.

Molecular Properties

Compound NameN-[(1-aminocyclohexyl)methyl]-2-(2,4-difluorophenyl)acetamide
PubChem CID119404549
Molecular FormulaC15H20F2N2O
Molecular Weight282.33 g/mol
Exact Mass282.15
IUPAC NameN-[(1-aminocyclohexyl)methyl]-2-(2,4-difluorophenyl)acetamide
SMILESNC1(CNC(=O)Cc2ccc(F)cc2F)CCCCC1
InChIInChI=1S/C15H20F2N2O/c16-12-5-4-11(13(17)9-12)8-14(20)19-10-15(18)6-2-1-3-7-15/h4-5,9H,1-3,6-8,10,18H2,(H,19,20)
InChIKeyZISRXCCLOWZAQY-UHFFFAOYSA-N
XLogP2.29
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1-aminocyclohexyl)methyl]-3-(2,4-difluorophenyl)urea
CID 61298666
2-(2,4-difluorophenyl)-N-[[1-(methylaminomethyl)cyclopropyl]methyl]acetamide
CID 115271494
1-amino-N-[(2,4-difluorophenyl)methyl]cyclohexane-1-carboxamide
CID 62228717
1-(1-aminocyclobutyl)-3-(2,4-difluorophenyl)propan-2-one
CID 116591321
N-(2-amino-2-methylpropyl)-2-(2,4-difluorophenyl)acetamide;hydrochloride
CID 119629495
N-[(1-aminocyclohexyl)methyl]-3,5-difluorobenzamide
CID 119404038
N-[(1-aminocyclohexyl)methyl]-2-(2-methoxyphenyl)acetamide
CID 119404004
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(2,5-difluorophenyl)acetamide
CID 115271338
N-[(1-aminocyclohexyl)methyl]-2-(2-methylphenyl)acetamide;hydrochloride
CID 119259809
1-(1-aminocyclobutyl)-2-(2,4-difluorophenyl)ethanone
CID 116598534
N-[(1-aminocyclohexyl)methyl]-2-(3-bromophenyl)acetamide
CID 119404421
N-(5-amino-2,2-dimethylpentyl)-2-(2,4-difluorophenyl)acetamide
CID 106140618

Frequently Asked Questions

What is the IUPAC name of N-[(1-aminocyclohexyl)methyl]-2-(2,4-difluorophenyl)acetamide?
The IUPAC name of N-[(1-aminocyclohexyl)methyl]-2-(2,4-difluorophenyl)acetamide (CID 119404549) is N-[(1-aminocyclohexyl)methyl]-2-(2,4-difluorophenyl)acetamide.
What is the SMILES notation for N-[(1-aminocyclohexyl)methyl]-2-(2,4-difluorophenyl)acetamide?
The canonical SMILES for N-[(1-aminocyclohexyl)methyl]-2-(2,4-difluorophenyl)acetamide is NC1(CNC(=O)Cc2ccc(F)cc2F)CCCCC1.
What is the InChIKey of N-[(1-aminocyclohexyl)methyl]-2-(2,4-difluorophenyl)acetamide?
The InChIKey is ZISRXCCLOWZAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O/c16-12-5-4-11(13(17)9-12)8-14(20)19-10-15(18)6-2-1-3-7-15/h4-5,9H,1-3,6-8,10,18H2,(H,19,20).
What are the key properties of N-[(1-aminocyclohexyl)methyl]-2-(2,4-difluorophenyl)acetamide?
N-[(1-aminocyclohexyl)methyl]-2-(2,4-difluorophenyl)acetamide has a molecular weight of 282.33 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-aminocyclohexyl)methyl]-2-(2,4-difluorophenyl)acetamide is sourced from PubChem (CID 119404549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).