5-chloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methoxybenzamide

C16H19ClN2O3 — CID 4884537

IUPAC5-chloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCC(c1ccco1)N(C)C
InChIInChI=1S/C16H19ClN2O3/c1-19(2)13(15-5-4-8-22-15)10-18-16(20)12-9-11(17)6-7-14(12)21-3/h4-9,13H,10H2,1-3H3,(H,18,20)
InChIKeyUKLPWYXYCCXPGO-UHFFFAOYSA-N
MW322.79 g/mol
LogP2.97
Rot. Bonds6

About 5-chloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methoxybenzamide

5-chloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methoxybenzamide (PubChem CID 4884537) has the molecular formula C16H19ClN2O3 and a molecular weight of 322.79 g/mol. Its IUPAC name is 5-chloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methoxybenzamide.

Molecular Properties

Compound Name5-chloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methoxybenzamide
PubChem CID4884537
Molecular FormulaC16H19ClN2O3
Molecular Weight322.79 g/mol
Exact Mass322.11
IUPAC Name5-chloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCC(c1ccco1)N(C)C
InChIInChI=1S/C16H19ClN2O3/c1-19(2)13(15-5-4-8-22-15)10-18-16(20)12-9-11(17)6-7-14(12)21-3/h4-9,13H,10H2,1-3H3,(H,18,20)
InChIKeyUKLPWYXYCCXPGO-UHFFFAOYSA-N
XLogP2.97
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.79
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-chloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methoxybenzamide?
The IUPAC name of 5-chloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methoxybenzamide (CID 4884537) is 5-chloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methoxybenzamide.
What is the SMILES notation for 5-chloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methoxybenzamide?
The canonical SMILES for 5-chloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methoxybenzamide is COc1ccc(Cl)cc1C(=O)NCC(c1ccco1)N(C)C.
What is the InChIKey of 5-chloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methoxybenzamide?
The InChIKey is UKLPWYXYCCXPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O3/c1-19(2)13(15-5-4-8-22-15)10-18-16(20)12-9-11(17)6-7-14(12)21-3/h4-9,13H,10H2,1-3H3,(H,18,20).
What are the key properties of 5-chloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methoxybenzamide?
5-chloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methoxybenzamide has a molecular weight of 322.79 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methoxybenzamide is sourced from PubChem (CID 4884537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).