N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-4-methyl-N-[1-(3-methylbutyl)piperidin-4-yl]benzamide

C29H35ClN2O2 — CID 143233532

IUPACN-[[5-(2-chlorophenyl)furan-2-yl]methyl]-4-methyl-N-[1-(3-methylbutyl)piperidin-4-yl]benzamide
SMILESCc1ccc(C(=O)N(Cc2ccc(-c3ccccc3Cl)o2)C2CCN(CCC(C)C)CC2)cc1
InChIInChI=1S/C29H35ClN2O2/c1-21(2)14-17-31-18-15-24(16-19-31)32(29(33)23-10-8-22(3)9-11-23)20-25-12-13-28(34-25)26-6-4-5-7-27(26)30/h4-13,21,24H,14-20H2,1-3H3
InChIKeyHEAIGGCVRIZADZ-UHFFFAOYSA-N
MW479.06 g/mol
LogP7.06
Rot. Bonds8

About N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-4-methyl-N-[1-(3-methylbutyl)piperidin-4-yl]benzamide

N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-4-methyl-N-[1-(3-methylbutyl)piperidin-4-yl]benzamide (PubChem CID 143233532) has the molecular formula C29H35ClN2O2 and a molecular weight of 479.06 g/mol. Its IUPAC name is N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-4-methyl-N-[1-(3-methylbutyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[[5-(2-chlorophenyl)furan-2-yl]methyl]-4-methyl-N-[1-(3-methylbutyl)piperidin-4-yl]benzamide
PubChem CID143233532
Molecular FormulaC29H35ClN2O2
Molecular Weight479.06 g/mol
Exact Mass478.24
IUPAC NameN-[[5-(2-chlorophenyl)furan-2-yl]methyl]-4-methyl-N-[1-(3-methylbutyl)piperidin-4-yl]benzamide
SMILESCc1ccc(C(=O)N(Cc2ccc(-c3ccccc3Cl)o2)C2CCN(CCC(C)C)CC2)cc1
InChIInChI=1S/C29H35ClN2O2/c1-21(2)14-17-31-18-15-24(16-19-31)32(29(33)23-10-8-22(3)9-11-23)20-25-12-13-28(34-25)26-6-4-5-7-27(26)30/h4-13,21,24H,14-20H2,1-3H3
InChIKeyHEAIGGCVRIZADZ-UHFFFAOYSA-N
XLogP7.06
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.06
LogP ≤ 57.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-4-methyl-N-[1-(3-methylbutyl)piperidin-4-yl]benzamide with MolForge

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Related Compounds

N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-N-[1-(3-methylbutyl)piperidin-4-yl]-4-pentylbenzamide
CID 59688846
N,4-dimethyl-N-[1-(3-methylbutyl)piperidin-4-yl]benzamide
CID 143233555
4-methyl-N-[1-(3-methylbutyl)piperidin-4-yl]-N-[[4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]benzamide
CID 143233457
4-fluoro-N-[1-(3-methylbutyl)piperidin-4-yl]-N-phenylbenzamide
CID 42858014
2-[[5-(2-chlorophenyl)furan-2-yl]methylamino]-3-methylbutanoic acid
CID 66528110
(2S)-2-[[5-(2-chlorophenyl)furan-2-yl]methylamino]-3-methylbutanoic acid
CID 99124959
N-(1,1-dioxothiolan-3-yl)-4-methyl-N-[(5-piperidin-1-ylfuran-2-yl)methyl]benzamide
CID 19243871
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-4-propan-2-yloxybenzamide
CID 16557574
N-[[4-(3-fluorophenyl)phenyl]methyl]-5-methyl-N-[1-(3-methylbutyl)piperidin-4-yl]pyridine-2-carboxamide
CID 143233493
N-[(3S)-1,1-dioxothiolan-3-yl]-4-methyl-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]benzamide
CID 35043514
4-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropylbenzamide
CID 4806431
1-[3-[[5-(2-chlorophenyl)furan-2-yl]methylamino]propyl]piperidin-4-ol
CID 110929359

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-4-methyl-N-[1-(3-methylbutyl)piperidin-4-yl]benzamide?
The IUPAC name of N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-4-methyl-N-[1-(3-methylbutyl)piperidin-4-yl]benzamide (CID 143233532) is N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-4-methyl-N-[1-(3-methylbutyl)piperidin-4-yl]benzamide.
What is the SMILES notation for N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-4-methyl-N-[1-(3-methylbutyl)piperidin-4-yl]benzamide?
The canonical SMILES for N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-4-methyl-N-[1-(3-methylbutyl)piperidin-4-yl]benzamide is Cc1ccc(C(=O)N(Cc2ccc(-c3ccccc3Cl)o2)C2CCN(CCC(C)C)CC2)cc1.
What is the InChIKey of N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-4-methyl-N-[1-(3-methylbutyl)piperidin-4-yl]benzamide?
The InChIKey is HEAIGGCVRIZADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35ClN2O2/c1-21(2)14-17-31-18-15-24(16-19-31)32(29(33)23-10-8-22(3)9-11-23)20-25-12-13-28(34-25)26-6-4-5-7-27(26)30/h4-13,21,24H,14-20H2,1-3H3.
What are the key properties of N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-4-methyl-N-[1-(3-methylbutyl)piperidin-4-yl]benzamide?
N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-4-methyl-N-[1-(3-methylbutyl)piperidin-4-yl]benzamide has a molecular weight of 479.06 g/mol, XLogP of 7.06, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-4-methyl-N-[1-(3-methylbutyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 143233532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).