N-[(4-chlorophenyl)methyl]-N-[3-(furan-2-yl)-4-methylpentyl]acetamide

C19H24ClNO2 — CID 3781827

IUPACN-[(4-chlorophenyl)methyl]-N-[3-(furan-2-yl)-4-methylpentyl]acetamide
SMILESCC(=O)N(CCC(c1ccco1)C(C)C)Cc1ccc(Cl)cc1
InChIInChI=1S/C19H24ClNO2/c1-14(2)18(19-5-4-12-23-19)10-11-21(15(3)22)13-16-6-8-17(20)9-7-16/h4-9,12,14,18H,10-11,13H2,1-3H3
InChIKeyHWMOIDSUNSVYSQ-UHFFFAOYSA-N
MW333.86 g/mol
LogP5.11
Rot. Bonds7

About N-[(4-chlorophenyl)methyl]-N-[3-(furan-2-yl)-4-methylpentyl]acetamide

N-[(4-chlorophenyl)methyl]-N-[3-(furan-2-yl)-4-methylpentyl]acetamide (PubChem CID 3781827) has the molecular formula C19H24ClNO2 and a molecular weight of 333.86 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N-[3-(furan-2-yl)-4-methylpentyl]acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N-[3-(furan-2-yl)-4-methylpentyl]acetamide
PubChem CID3781827
Molecular FormulaC19H24ClNO2
Molecular Weight333.86 g/mol
Exact Mass333.15
IUPAC NameN-[(4-chlorophenyl)methyl]-N-[3-(furan-2-yl)-4-methylpentyl]acetamide
SMILESCC(=O)N(CCC(c1ccco1)C(C)C)Cc1ccc(Cl)cc1
InChIInChI=1S/C19H24ClNO2/c1-14(2)18(19-5-4-12-23-19)10-11-21(15(3)22)13-16-6-8-17(20)9-7-16/h4-9,12,14,18H,10-11,13H2,1-3H3
InChIKeyHWMOIDSUNSVYSQ-UHFFFAOYSA-N
XLogP5.11
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.86
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[(4-chlorophenyl)methyl]-N-[3-(furan-2-yl)-4-methylpentyl]acetamide 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 N-[(4-chlorophenyl)methyl]-N-[3-(furan-2-yl)-4-methylpentyl]acetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N-[3-(furan-2-yl)-4-methylpentyl]acetamide (CID 3781827) is N-[(4-chlorophenyl)methyl]-N-[3-(furan-2-yl)-4-methylpentyl]acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N-[3-(furan-2-yl)-4-methylpentyl]acetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N-[3-(furan-2-yl)-4-methylpentyl]acetamide is CC(=O)N(CCC(c1ccco1)C(C)C)Cc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N-[3-(furan-2-yl)-4-methylpentyl]acetamide?
The InChIKey is HWMOIDSUNSVYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClNO2/c1-14(2)18(19-5-4-12-23-19)10-11-21(15(3)22)13-16-6-8-17(20)9-7-16/h4-9,12,14,18H,10-11,13H2,1-3H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-N-[3-(furan-2-yl)-4-methylpentyl]acetamide?
N-[(4-chlorophenyl)methyl]-N-[3-(furan-2-yl)-4-methylpentyl]acetamide has a molecular weight of 333.86 g/mol, XLogP of 5.11, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-N-[3-(furan-2-yl)-4-methylpentyl]acetamide is sourced from PubChem (CID 3781827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).