3-(5-chloro-2-methoxyanilino)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]propanamide

C17H20ClN3O4 — CID 51127338

IUPAC3-(5-chloro-2-methoxyanilino)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]propanamide
SMILESCOc1ccc(Cl)cc1NCCC(=O)NCC(=O)NCc1ccco1
InChIInChI=1S/C17H20ClN3O4/c1-24-15-5-4-12(18)9-14(15)19-7-6-16(22)21-11-17(23)20-10-13-3-2-8-25-13/h2-5,8-9,19H,6-7,10-11H2,1H3,(H,20,23)(H,21,22)
InChIKeyQAAYKEBEAOZCEK-UHFFFAOYSA-N
MW365.82 g/mol
LogP2.18
Rot. Bonds9

About 3-(5-chloro-2-methoxyanilino)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]propanamide

3-(5-chloro-2-methoxyanilino)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]propanamide (PubChem CID 51127338) has the molecular formula C17H20ClN3O4 and a molecular weight of 365.82 g/mol. Its IUPAC name is 3-(5-chloro-2-methoxyanilino)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]propanamide.

Molecular Properties

Compound Name3-(5-chloro-2-methoxyanilino)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]propanamide
PubChem CID51127338
Molecular FormulaC17H20ClN3O4
Molecular Weight365.82 g/mol
Exact Mass365.11
IUPAC Name3-(5-chloro-2-methoxyanilino)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]propanamide
SMILESCOc1ccc(Cl)cc1NCCC(=O)NCC(=O)NCc1ccco1
InChIInChI=1S/C17H20ClN3O4/c1-24-15-5-4-12(18)9-14(15)19-7-6-16(22)21-11-17(23)20-10-13-3-2-8-25-13/h2-5,8-9,19H,6-7,10-11H2,1H3,(H,20,23)(H,21,22)
InChIKeyQAAYKEBEAOZCEK-UHFFFAOYSA-N
XLogP2.18
TPSA92.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.82
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-chloro-4-methoxyphenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]propanamide
CID 55512609
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(furan-2-ylmethyl)acetamide
CID 9167118
2-(2,5-dimethoxyanilino)-N-(furan-2-ylmethyl)acetamide
CID 54814023
N-(2-aminoethyl)-3-(5-chloro-2-methoxyanilino)propanamide;dihydrochloride
CID 119385515
3-N-(5-chloro-2-methoxyphenyl)-1-N-(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109054027
[2-(furan-2-ylmethylamino)-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 2629968
3-(5-chloro-2-methoxyanilino)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide
CID 51097032
2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N-(furan-2-ylmethyl)acetamide
CID 6493708
3,5-dichloro-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-methoxybenzamide
CID 9081404
3-(5-chloro-2-methoxyanilino)-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide
CID 3841376
2-[3-[[3-(5-chloro-2-methoxyanilino)propanoylamino]methyl]phenoxy]acetic acid
CID 119246476
3-(5-chloro-2-methoxyanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 47824686

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-methoxyanilino)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]propanamide?
The IUPAC name of 3-(5-chloro-2-methoxyanilino)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]propanamide (CID 51127338) is 3-(5-chloro-2-methoxyanilino)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]propanamide.
What is the SMILES notation for 3-(5-chloro-2-methoxyanilino)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]propanamide?
The canonical SMILES for 3-(5-chloro-2-methoxyanilino)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]propanamide is COc1ccc(Cl)cc1NCCC(=O)NCC(=O)NCc1ccco1.
What is the InChIKey of 3-(5-chloro-2-methoxyanilino)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]propanamide?
The InChIKey is QAAYKEBEAOZCEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O4/c1-24-15-5-4-12(18)9-14(15)19-7-6-16(22)21-11-17(23)20-10-13-3-2-8-25-13/h2-5,8-9,19H,6-7,10-11H2,1H3,(H,20,23)(H,21,22).
What are the key properties of 3-(5-chloro-2-methoxyanilino)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]propanamide?
3-(5-chloro-2-methoxyanilino)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]propanamide has a molecular weight of 365.82 g/mol, XLogP of 2.18, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-methoxyanilino)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]propanamide is sourced from PubChem (CID 51127338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).