2-(3-chloro-2-morpholin-4-ylanilino)-N-(furan-2-ylmethyl)acetamide

C17H20ClN3O3 — CID 39998866

IUPAC2-(3-chloro-2-morpholin-4-ylanilino)-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CNc1cccc(Cl)c1N1CCOCC1)NCc1ccco1
InChIInChI=1S/C17H20ClN3O3/c18-14-4-1-5-15(17(14)21-6-9-23-10-7-21)19-12-16(22)20-11-13-3-2-8-24-13/h1-5,8,19H,6-7,9-12H2,(H,20,22)
InChIKeyZMJKLZMJGMAMGH-UHFFFAOYSA-N
MW349.82 g/mol
LogP2.50
Rot. Bonds6

About 2-(3-chloro-2-morpholin-4-ylanilino)-N-(furan-2-ylmethyl)acetamide

2-(3-chloro-2-morpholin-4-ylanilino)-N-(furan-2-ylmethyl)acetamide (PubChem CID 39998866) has the molecular formula C17H20ClN3O3 and a molecular weight of 349.82 g/mol. Its IUPAC name is 2-(3-chloro-2-morpholin-4-ylanilino)-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3-chloro-2-morpholin-4-ylanilino)-N-(furan-2-ylmethyl)acetamide
PubChem CID39998866
Molecular FormulaC17H20ClN3O3
Molecular Weight349.82 g/mol
Exact Mass349.12
IUPAC Name2-(3-chloro-2-morpholin-4-ylanilino)-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CNc1cccc(Cl)c1N1CCOCC1)NCc1ccco1
InChIInChI=1S/C17H20ClN3O3/c18-14-4-1-5-15(17(14)21-6-9-23-10-7-21)19-12-16(22)20-11-13-3-2-8-24-13/h1-5,8,19H,6-7,9-12H2,(H,20,22)
InChIKeyZMJKLZMJGMAMGH-UHFFFAOYSA-N
XLogP2.50
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.82
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-chloro-2-methylanilino)-N-(furan-2-ylmethyl)acetamide
CID 31666412
2-(3-chloro-2-morpholin-4-ylanilino)-N-[1-(4-chlorophenyl)ethyl]acetamide
CID 55566312
N-(furan-2-ylmethyl)-2-[[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]benzamide
CID 4798851
N-(3-chloro-2-morpholin-4-ylphenyl)-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide
CID 30605699
2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 9434241
2-(2,6-dichlorophenyl)-N-(furan-2-ylmethyl)acetamide
CID 2082030
2-(2-chlorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide
CID 24550973
2-(3,5-dichloroanilino)-N-(furan-2-ylmethyl)acetamide
CID 31666642
2-[(2-chlorophenyl)sulfonylamino]-N-(furan-2-ylmethyl)acetamide
CID 38254498
2,3-dichloro-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide
CID 18118972
N-[(2-chlorophenyl)methyl]-2-(furan-2-ylmethylamino)acetamide
CID 54818991
N-(2-chlorophenyl)-2-(2-morpholin-4-ylanilino)acetamide
CID 109008426

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-morpholin-4-ylanilino)-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-(3-chloro-2-morpholin-4-ylanilino)-N-(furan-2-ylmethyl)acetamide (CID 39998866) is 2-(3-chloro-2-morpholin-4-ylanilino)-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(3-chloro-2-morpholin-4-ylanilino)-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(3-chloro-2-morpholin-4-ylanilino)-N-(furan-2-ylmethyl)acetamide is O=C(CNc1cccc(Cl)c1N1CCOCC1)NCc1ccco1.
What is the InChIKey of 2-(3-chloro-2-morpholin-4-ylanilino)-N-(furan-2-ylmethyl)acetamide?
The InChIKey is ZMJKLZMJGMAMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O3/c18-14-4-1-5-15(17(14)21-6-9-23-10-7-21)19-12-16(22)20-11-13-3-2-8-24-13/h1-5,8,19H,6-7,9-12H2,(H,20,22).
What are the key properties of 2-(3-chloro-2-morpholin-4-ylanilino)-N-(furan-2-ylmethyl)acetamide?
2-(3-chloro-2-morpholin-4-ylanilino)-N-(furan-2-ylmethyl)acetamide has a molecular weight of 349.82 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-morpholin-4-ylanilino)-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 39998866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).