N-[2-(cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(2-fluorophenyl)prop-2-ynamide

C23H22F2N2O2 — CID 3216711

IUPACN-[2-(cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(2-fluorophenyl)prop-2-ynamide
SMILESC#CC(=O)N(c1ccccc1F)C(C(=O)NC1CCCCC1)c1ccccc1F
InChIInChI=1S/C23H22F2N2O2/c1-2-21(28)27(20-15-9-8-14-19(20)25)22(17-12-6-7-13-18(17)24)23(29)26-16-10-4-3-5-11-16/h1,6-9,12-16,22H,3-5,10-11H2,(H,26,29)
InChIKeyASTDFTSAWXOCIM-UHFFFAOYSA-N
MW396.44 g/mol
LogP4.12
Rot. Bonds5

About N-[2-(cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(2-fluorophenyl)prop-2-ynamide

N-[2-(cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(2-fluorophenyl)prop-2-ynamide (PubChem CID 3216711) has the molecular formula C23H22F2N2O2 and a molecular weight of 396.44 g/mol. Its IUPAC name is N-[2-(cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(2-fluorophenyl)prop-2-ynamide.

Molecular Properties

Compound NameN-[2-(cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(2-fluorophenyl)prop-2-ynamide
PubChem CID3216711
Molecular FormulaC23H22F2N2O2
Molecular Weight396.44 g/mol
Exact Mass396.16
IUPAC NameN-[2-(cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(2-fluorophenyl)prop-2-ynamide
SMILESC#CC(=O)N(c1ccccc1F)C(C(=O)NC1CCCCC1)c1ccccc1F
InChIInChI=1S/C23H22F2N2O2/c1-2-21(28)27(20-15-9-8-14-19(20)25)22(17-12-6-7-13-18(17)24)23(29)26-16-10-4-3-5-11-16/h1,6-9,12-16,22H,3-5,10-11H2,(H,26,29)
InChIKeyASTDFTSAWXOCIM-UHFFFAOYSA-N
XLogP4.12
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-((3-Fluorophenyl)amino)-1-piperidinyl)-2-(4-(((3S)-3-methyl-1-piperazinyl)methyl)phenyl)ethanone
CID 15984937
Compound E
CID 11306390
(S)-2-(2-(3,5-Difluorophenyl)acetamido)-N-((S)-5-methyl-6-oxo-6,7-dihydro-5H-dibenzo[b,d]azepin-7-yl)propanamide
CID 11454028
2-(((3,5-difluorophenyl)acetyl)amino)-N-(1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl)propanamide
CID 22312320
(R)-2-(4-fluoro-3-methylphenylamino)-6-(4-fluorobenzylamino)-N-hydroxyhexanamide
CID 54582964
2-(N-[2-(4-cyanoanilino)acetyl]-3-fluoroanilino)-N-cyclohexyl-2-(2-methylphenyl)acetamide
CID 56645961
1-[4-(4-Fluorophenyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 710849
Iem 611
CID 39794
N-[(4-fluorophenyl)methyl]-2-(4-phenylpiperazin-1-yl)acetamide
CID 3349055
6-Ammonio-N-(Trifluoroacetyl)-L-Norleucyl-N-[4-(1-Methylethyl)phenyl]-L-Phenylalaninamide
CID 445370
N-(Trifluoroacetyl)-L-Phenylalanyl-N-[4-(Trifluoromethyl)phenyl]-L-Alaninamide
CID 5497044
1-methyl-3-phenyl-4-(phenylamino)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 6539523

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(2-fluorophenyl)prop-2-ynamide?
The IUPAC name of N-[2-(cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(2-fluorophenyl)prop-2-ynamide (CID 3216711) is N-[2-(cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(2-fluorophenyl)prop-2-ynamide.
What is the SMILES notation for N-[2-(cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(2-fluorophenyl)prop-2-ynamide?
The canonical SMILES for N-[2-(cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(2-fluorophenyl)prop-2-ynamide is C#CC(=O)N(c1ccccc1F)C(C(=O)NC1CCCCC1)c1ccccc1F.
What is the InChIKey of N-[2-(cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(2-fluorophenyl)prop-2-ynamide?
The InChIKey is ASTDFTSAWXOCIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N2O2/c1-2-21(28)27(20-15-9-8-14-19(20)25)22(17-12-6-7-13-18(17)24)23(29)26-16-10-4-3-5-11-16/h1,6-9,12-16,22H,3-5,10-11H2,(H,26,29).
What are the key properties of N-[2-(cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(2-fluorophenyl)prop-2-ynamide?
N-[2-(cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(2-fluorophenyl)prop-2-ynamide has a molecular weight of 396.44 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(2-fluorophenyl)prop-2-ynamide is sourced from PubChem (CID 3216711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).