2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-(furan-2-ylmethylcarbamoyl)acetamide

C16H18ClN3O3 — CID 9306254

IUPAC2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-(furan-2-ylmethylcarbamoyl)acetamide
SMILESC[C@H](NCC(=O)NC(=O)NCc1ccco1)c1ccccc1Cl
InChIInChI=1S/C16H18ClN3O3/c1-11(13-6-2-3-7-14(13)17)18-10-15(21)20-16(22)19-9-12-5-4-8-23-12/h2-8,11,18H,9-10H2,1H3,(H2,19,20,21,22)/t11-/m0/s1
InChIKeyZQLYAUGUMZLHGS-NSHDSACASA-N
MW335.79 g/mol
LogP2.61
Rot. Bonds6

About 2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-(furan-2-ylmethylcarbamoyl)acetamide

2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-(furan-2-ylmethylcarbamoyl)acetamide (PubChem CID 9306254) has the molecular formula C16H18ClN3O3 and a molecular weight of 335.79 g/mol. Its IUPAC name is 2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-(furan-2-ylmethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-(furan-2-ylmethylcarbamoyl)acetamide
PubChem CID9306254
Molecular FormulaC16H18ClN3O3
Molecular Weight335.79 g/mol
Exact Mass335.10
IUPAC Name2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-(furan-2-ylmethylcarbamoyl)acetamide
SMILESC[C@H](NCC(=O)NC(=O)NCc1ccco1)c1ccccc1Cl
InChIInChI=1S/C16H18ClN3O3/c1-11(13-6-2-3-7-14(13)17)18-10-15(21)20-16(22)19-9-12-5-4-8-23-12/h2-8,11,18H,9-10H2,1H3,(H2,19,20,21,22)/t11-/m0/s1
InChIKeyZQLYAUGUMZLHGS-NSHDSACASA-N
XLogP2.61
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.79
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]amino]propanoic acid
CID 83195218
2-(benzhydrylamino)-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 7971062
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-(propylcarbamoyl)acetamide
CID 9306320
N-(furan-2-ylmethylcarbamoyl)-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9391859
2-[[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]amino]pentanoic acid
CID 43631411
N-carbamoyl-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]acetamide
CID 81377573
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-[(2-chlorophenyl)methyl]acetamide
CID 9306793
1-(furan-2-ylmethyl)-3-propan-2-ylurea
CID 819269
2-[1-(2-chlorophenyl)ethylamino]-N-prop-2-ynylacetamide
CID 47118036
N-(benzylcarbamoyl)-2-[1-(2,4-dichlorophenyl)ethylamino]acetamide
CID 4828683
N-(furan-2-ylmethyl)-2-[1-(4-phenylphenyl)ethylamino]acetamide
CID 47010968
2-[1-(2-chlorophenyl)ethylamino]-N-(2,6-dichlorophenyl)acetamide
CID 18085946

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-(furan-2-ylmethylcarbamoyl)acetamide?
The IUPAC name of 2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-(furan-2-ylmethylcarbamoyl)acetamide (CID 9306254) is 2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-(furan-2-ylmethylcarbamoyl)acetamide.
What is the SMILES notation for 2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-(furan-2-ylmethylcarbamoyl)acetamide?
The canonical SMILES for 2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-(furan-2-ylmethylcarbamoyl)acetamide is C[C@H](NCC(=O)NC(=O)NCc1ccco1)c1ccccc1Cl.
What is the InChIKey of 2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-(furan-2-ylmethylcarbamoyl)acetamide?
The InChIKey is ZQLYAUGUMZLHGS-NSHDSACASA-N. The full InChI is InChI=1S/C16H18ClN3O3/c1-11(13-6-2-3-7-14(13)17)18-10-15(21)20-16(22)19-9-12-5-4-8-23-12/h2-8,11,18H,9-10H2,1H3,(H2,19,20,21,22)/t11-/m0/s1.
What are the key properties of 2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-(furan-2-ylmethylcarbamoyl)acetamide?
2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-(furan-2-ylmethylcarbamoyl)acetamide has a molecular weight of 335.79 g/mol, XLogP of 2.61, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-(furan-2-ylmethylcarbamoyl)acetamide is sourced from PubChem (CID 9306254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).