N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-(methylamino)acetamide

C16H23FN2O — CID 119688726

IUPACN-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-(methylamino)acetamide
SMILESCNCC(=O)N(Cc1ccc(F)cc1)C1CCCCC1
InChIInChI=1S/C16H23FN2O/c1-18-11-16(20)19(15-5-3-2-4-6-15)12-13-7-9-14(17)10-8-13/h7-10,15,18H,2-6,11-12H2,1H3
InChIKeyCXVBASMCIFNQSA-UHFFFAOYSA-N
MW278.37 g/mol
LogP2.71
Rot. Bonds5

About N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-(methylamino)acetamide

N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-(methylamino)acetamide (PubChem CID 119688726) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-(methylamino)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-(methylamino)acetamide
PubChem CID119688726
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC NameN-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-(methylamino)acetamide
SMILESCNCC(=O)N(Cc1ccc(F)cc1)C1CCCCC1
InChIInChI=1S/C16H23FN2O/c1-18-11-16(20)19(15-5-3-2-4-6-15)12-13-7-9-14(17)10-8-13/h7-10,15,18H,2-6,11-12H2,1H3
InChIKeyCXVBASMCIFNQSA-UHFFFAOYSA-N
XLogP2.71
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]amino]-N-methylacetamide
CID 8772654
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-(methylamino)acetamide
CID 60686602
1-cyclopentyl-1-[(4-fluorophenyl)methyl]-3-methylthiourea
CID 3417353
N-cyclopropyl-2-(methylamino)-N-[(4-propan-2-ylphenyl)methyl]acetamide;hydrochloride
CID 119693001
2-anilino-N-cyclopropyl-N-[(4-fluorophenyl)methyl]acetamide
CID 119693145
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-(2-methoxyethylamino)acetamide
CID 79282506
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-(prop-2-enylamino)acetamide
CID 79285198
2-(benzenesulfonyl)-N-cyclohexyl-N-[(4-fluorophenyl)methyl]acetamide
CID 112795625
N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-2-(methylamino)acetamide
CID 54872475
N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 24520357
N-cyclopropyl-2-[(4-fluorophenyl)methylcarbamoylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 33036704
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-(4-methylphenyl)acetamide
CID 78814100

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-(methylamino)acetamide?
The IUPAC name of N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-(methylamino)acetamide (CID 119688726) is N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-(methylamino)acetamide.
What is the SMILES notation for N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-(methylamino)acetamide?
The canonical SMILES for N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-(methylamino)acetamide is CNCC(=O)N(Cc1ccc(F)cc1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-(methylamino)acetamide?
The InChIKey is CXVBASMCIFNQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O/c1-18-11-16(20)19(15-5-3-2-4-6-15)12-13-7-9-14(17)10-8-13/h7-10,15,18H,2-6,11-12H2,1H3.
What are the key properties of N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-(methylamino)acetamide?
N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-(methylamino)acetamide has a molecular weight of 278.37 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-(methylamino)acetamide is sourced from PubChem (CID 119688726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).