3-[[(1S)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]carbamoylamino]propanamide

C15H18FN3O3 — CID 95325813

IUPAC3-[[(1S)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]carbamoylamino]propanamide
SMILESCc1c([C@H](C)NC(=O)NCCC(N)=O)oc2ccc(F)cc12
InChIInChI=1S/C15H18FN3O3/c1-8-11-7-10(16)3-4-12(11)22-14(8)9(2)19-15(21)18-6-5-13(17)20/h3-4,7,9H,5-6H2,1-2H3,(H2,17,20)(H2,18,19,21)/t9-/m0/s1
InChIKeyDKPKFMYCEGFAIQ-VIFPVBQESA-N
MW307.33 g/mol
LogP2.12
Rot. Bonds5

About 3-[[(1S)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]carbamoylamino]propanamide

3-[[(1S)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]carbamoylamino]propanamide (PubChem CID 95325813) has the molecular formula C15H18FN3O3 and a molecular weight of 307.33 g/mol. Its IUPAC name is 3-[[(1S)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]carbamoylamino]propanamide.

Molecular Properties

Compound Name3-[[(1S)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]carbamoylamino]propanamide
PubChem CID95325813
Molecular FormulaC15H18FN3O3
Molecular Weight307.33 g/mol
Exact Mass307.13
IUPAC Name3-[[(1S)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]carbamoylamino]propanamide
SMILESCc1c([C@H](C)NC(=O)NCCC(N)=O)oc2ccc(F)cc12
InChIInChI=1S/C15H18FN3O3/c1-8-11-7-10(16)3-4-12(11)22-14(8)9(2)19-15(21)18-6-5-13(17)20/h3-4,7,9H,5-6H2,1-2H3,(H2,17,20)(H2,18,19,21)/t9-/m0/s1
InChIKeyDKPKFMYCEGFAIQ-VIFPVBQESA-N
XLogP2.12
TPSA97.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]urea
CID 86900679
1-(2-aminopyrimidin-5-yl)-3-[(1R)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]urea
CID 166531837
1-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111505700
N-[(1S)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]azetidine-1-carboxamide
CID 95333207
N-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111537749
1-[(1S)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]-3-(4-pyrazol-1-ylphenyl)urea
CID 166532876
1-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]urea
CID 86880113
N-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111438593
N'-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]-N-[3-(2-methylpropanoylamino)phenyl]oxamide
CID 86881184
N-(4-ethoxy-2-methylphenyl)-N'-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]oxamide
CID 86881162
N-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 86878186
2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]acetamide
CID 86878943

Frequently Asked Questions

What is the IUPAC name of 3-[[(1S)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]carbamoylamino]propanamide?
The IUPAC name of 3-[[(1S)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]carbamoylamino]propanamide (CID 95325813) is 3-[[(1S)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]carbamoylamino]propanamide.
What is the SMILES notation for 3-[[(1S)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]carbamoylamino]propanamide?
The canonical SMILES for 3-[[(1S)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]carbamoylamino]propanamide is Cc1c([C@H](C)NC(=O)NCCC(N)=O)oc2ccc(F)cc12.
What is the InChIKey of 3-[[(1S)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]carbamoylamino]propanamide?
The InChIKey is DKPKFMYCEGFAIQ-VIFPVBQESA-N. The full InChI is InChI=1S/C15H18FN3O3/c1-8-11-7-10(16)3-4-12(11)22-14(8)9(2)19-15(21)18-6-5-13(17)20/h3-4,7,9H,5-6H2,1-2H3,(H2,17,20)(H2,18,19,21)/t9-/m0/s1.
What are the key properties of 3-[[(1S)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]carbamoylamino]propanamide?
3-[[(1S)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]carbamoylamino]propanamide has a molecular weight of 307.33 g/mol, XLogP of 2.12, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1S)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]carbamoylamino]propanamide is sourced from PubChem (CID 95325813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).