N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(phenylcarbamoylamino)propanamide

C22H27FN4O3 — CID 112793827

IUPACN-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(phenylcarbamoylamino)propanamide
SMILESCC(NC(=O)Nc1ccccc1)C(=O)NCC(c1ccc(F)cc1)N1CCOCC1
InChIInChI=1S/C22H27FN4O3/c1-16(25-22(29)26-19-5-3-2-4-6-19)21(28)24-15-20(27-11-13-30-14-12-27)17-7-9-18(23)10-8-17/h2-10,16,20H,11-15H2,1H3,(H,24,28)(H2,25,26,29)
InChIKeyLPOHJIIYKFKCBY-UHFFFAOYSA-N
MW414.48 g/mol
LogP2.53
Rot. Bonds7

About N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(phenylcarbamoylamino)propanamide

N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(phenylcarbamoylamino)propanamide (PubChem CID 112793827) has the molecular formula C22H27FN4O3 and a molecular weight of 414.48 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(phenylcarbamoylamino)propanamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(phenylcarbamoylamino)propanamide
PubChem CID112793827
Molecular FormulaC22H27FN4O3
Molecular Weight414.48 g/mol
Exact Mass414.21
IUPAC NameN-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(phenylcarbamoylamino)propanamide
SMILESCC(NC(=O)Nc1ccccc1)C(=O)NCC(c1ccc(F)cc1)N1CCOCC1
InChIInChI=1S/C22H27FN4O3/c1-16(25-22(29)26-19-5-3-2-4-6-19)21(28)24-15-20(27-11-13-30-14-12-27)17-7-9-18(23)10-8-17/h2-10,16,20H,11-15H2,1H3,(H,24,28)(H2,25,26,29)
InChIKeyLPOHJIIYKFKCBY-UHFFFAOYSA-N
XLogP2.53
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.48
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-methylpropanamide
CID 30334846
1-(3-chlorophenyl)-3-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]urea
CID 18589035
1-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-pyridin-3-ylurea
CID 18101833
1-(3-chlorophenyl)-3-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]urea
CID 30834737
4-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-N-phenylpiperidine-1,4-dicarboxamide
CID 4787425
1-[(4-fluorophenyl)methyl]-3-(2-morpholin-4-yl-2-phenylethyl)urea
CID 42890407
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(2-methylphenyl)acetamide
CID 51175139
1-[(2S)-2-morpholin-4-yl-2-phenylethyl]-3-[(1R)-1-phenylethyl]urea
CID 51934988
1-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea
CID 86993305
1-[2-(4-fluorophenyl)ethyl]-3-[(2R)-2-morpholin-4-yl-2-phenylethyl]urea
CID 51934907
1-(4-fluorophenyl)-3-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea
CID 30037330
N-[2-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]-2-oxoethyl]-2-phenylacetamide
CID 51163264

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(phenylcarbamoylamino)propanamide?
The IUPAC name of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(phenylcarbamoylamino)propanamide (CID 112793827) is N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(phenylcarbamoylamino)propanamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(phenylcarbamoylamino)propanamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(phenylcarbamoylamino)propanamide is CC(NC(=O)Nc1ccccc1)C(=O)NCC(c1ccc(F)cc1)N1CCOCC1.
What is the InChIKey of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(phenylcarbamoylamino)propanamide?
The InChIKey is LPOHJIIYKFKCBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN4O3/c1-16(25-22(29)26-19-5-3-2-4-6-19)21(28)24-15-20(27-11-13-30-14-12-27)17-7-9-18(23)10-8-17/h2-10,16,20H,11-15H2,1H3,(H,24,28)(H2,25,26,29).
What are the key properties of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(phenylcarbamoylamino)propanamide?
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(phenylcarbamoylamino)propanamide has a molecular weight of 414.48 g/mol, XLogP of 2.53, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(phenylcarbamoylamino)propanamide is sourced from PubChem (CID 112793827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).