N-[3-[(2,4-dichlorophenyl)methyl-methylamino]-3-oxopropyl]furan-2-carboxamide

C16H16Cl2N2O3 — CID 2525635

IUPACN-[3-[(2,4-dichlorophenyl)methyl-methylamino]-3-oxopropyl]furan-2-carboxamide
SMILESCN(Cc1ccc(Cl)cc1Cl)C(=O)CCNC(=O)c1ccco1
InChIInChI=1S/C16H16Cl2N2O3/c1-20(10-11-4-5-12(17)9-13(11)18)15(21)6-7-19-16(22)14-3-2-8-23-14/h2-5,8-9H,6-7,10H2,1H3,(H,19,22)
InChIKeyUZBJKOAYIKFBKR-UHFFFAOYSA-N
MW355.22 g/mol
LogP3.36
Rot. Bonds6

About N-[3-[(2,4-dichlorophenyl)methyl-methylamino]-3-oxopropyl]furan-2-carboxamide

N-[3-[(2,4-dichlorophenyl)methyl-methylamino]-3-oxopropyl]furan-2-carboxamide (PubChem CID 2525635) has the molecular formula C16H16Cl2N2O3 and a molecular weight of 355.22 g/mol. Its IUPAC name is N-[3-[(2,4-dichlorophenyl)methyl-methylamino]-3-oxopropyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(2,4-dichlorophenyl)methyl-methylamino]-3-oxopropyl]furan-2-carboxamide
PubChem CID2525635
Molecular FormulaC16H16Cl2N2O3
Molecular Weight355.22 g/mol
Exact Mass354.05
IUPAC NameN-[3-[(2,4-dichlorophenyl)methyl-methylamino]-3-oxopropyl]furan-2-carboxamide
SMILESCN(Cc1ccc(Cl)cc1Cl)C(=O)CCNC(=O)c1ccco1
InChIInChI=1S/C16H16Cl2N2O3/c1-20(10-11-4-5-12(17)9-13(11)18)15(21)6-7-19-16(22)14-3-2-8-23-14/h2-5,8-9H,6-7,10H2,1H3,(H,19,22)
InChIKeyUZBJKOAYIKFBKR-UHFFFAOYSA-N
XLogP3.36
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.22
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,4-dichlorophenyl)methyl 4-(furan-2-carbonylamino)butanoate
CID 55369171
N-[2-[[N-[(2-chlorophenyl)methyl]-N,N'-dimethylcarbamimidoyl]amino]ethyl]furan-2-carboxamide
CID 111294509
N-[3-[1-hydroxypropan-2-yl(methyl)amino]-3-oxopropyl]furan-2-carboxamide
CID 109388581
N-[4-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-4-oxobutyl]furan-2-carboxamide
CID 55364467
3-cyano-N-[(2,4-dichlorophenyl)methyl]-N-methylpropanamide
CID 94697067
N-[4-[(3-chlorophenyl)methyl-propan-2-ylamino]-4-oxobutyl]furan-2-carboxamide
CID 86927049
[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate
CID 55326477
N-[4-[2-hydroxyethyl(methyl)amino]-4-oxobutyl]furan-2-carboxamide
CID 60740288
N-[4-[methyl-[(5-methylfuran-2-yl)methyl]amino]-4-oxobutyl]furan-2-carboxamide
CID 34755792
N-benzyl-3-(2,4-dichloroanilino)-N-methylpropanamide
CID 109020531
N-[3-[1-(4-chlorophenyl)ethyl-cyclopropylamino]-3-oxopropyl]furan-2-carboxamide
CID 55593629
2-anilino-N-[(2,4-dichlorophenyl)methyl]-N-methylacetamide
CID 60683217

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2,4-dichlorophenyl)methyl-methylamino]-3-oxopropyl]furan-2-carboxamide?
The IUPAC name of N-[3-[(2,4-dichlorophenyl)methyl-methylamino]-3-oxopropyl]furan-2-carboxamide (CID 2525635) is N-[3-[(2,4-dichlorophenyl)methyl-methylamino]-3-oxopropyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[(2,4-dichlorophenyl)methyl-methylamino]-3-oxopropyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[(2,4-dichlorophenyl)methyl-methylamino]-3-oxopropyl]furan-2-carboxamide is CN(Cc1ccc(Cl)cc1Cl)C(=O)CCNC(=O)c1ccco1.
What is the InChIKey of N-[3-[(2,4-dichlorophenyl)methyl-methylamino]-3-oxopropyl]furan-2-carboxamide?
The InChIKey is UZBJKOAYIKFBKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O3/c1-20(10-11-4-5-12(17)9-13(11)18)15(21)6-7-19-16(22)14-3-2-8-23-14/h2-5,8-9H,6-7,10H2,1H3,(H,19,22).
What are the key properties of N-[3-[(2,4-dichlorophenyl)methyl-methylamino]-3-oxopropyl]furan-2-carboxamide?
N-[3-[(2,4-dichlorophenyl)methyl-methylamino]-3-oxopropyl]furan-2-carboxamide has a molecular weight of 355.22 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2,4-dichlorophenyl)methyl-methylamino]-3-oxopropyl]furan-2-carboxamide is sourced from PubChem (CID 2525635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).