N-(3-chloro-2-methylphenyl)-5-(piperidin-1-ylmethyl)furan-2-carboxamide

C18H21ClN2O2 — CID 19415881

IUPACN-(3-chloro-2-methylphenyl)-5-(piperidin-1-ylmethyl)furan-2-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)c1ccc(CN2CCCCC2)o1
InChIInChI=1S/C18H21ClN2O2/c1-13-15(19)6-5-7-16(13)20-18(22)17-9-8-14(23-17)12-21-10-3-2-4-11-21/h5-9H,2-4,10-12H2,1H3,(H,20,22)
InChIKeyAVSRIWCKOFVQJB-UHFFFAOYSA-N
MW332.83 g/mol
LogP4.48
Rot. Bonds4

About N-(3-chloro-2-methylphenyl)-5-(piperidin-1-ylmethyl)furan-2-carboxamide

N-(3-chloro-2-methylphenyl)-5-(piperidin-1-ylmethyl)furan-2-carboxamide (PubChem CID 19415881) has the molecular formula C18H21ClN2O2 and a molecular weight of 332.83 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-5-(piperidin-1-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-5-(piperidin-1-ylmethyl)furan-2-carboxamide
PubChem CID19415881
Molecular FormulaC18H21ClN2O2
Molecular Weight332.83 g/mol
Exact Mass332.13
IUPAC NameN-(3-chloro-2-methylphenyl)-5-(piperidin-1-ylmethyl)furan-2-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)c1ccc(CN2CCCCC2)o1
InChIInChI=1S/C18H21ClN2O2/c1-13-15(19)6-5-7-16(13)20-18(22)17-9-8-14(23-17)12-21-10-3-2-4-11-21/h5-9H,2-4,10-12H2,1H3,(H,20,22)
InChIKeyAVSRIWCKOFVQJB-UHFFFAOYSA-N
XLogP4.48
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-dichlorophenyl)-5-(piperidin-1-ylmethyl)furan-2-carboxamide
CID 19415907
N-(2-bromophenyl)-5-(piperidin-1-ylmethyl)furan-2-carboxamide
CID 35332804
N-(2-cyanophenyl)-5-(piperidin-1-ylmethyl)furan-2-carboxamide
CID 19416050
5-bromo-N-(3-chloro-2-methylphenyl)furan-2-carboxamide
CID 675043
5-amino-N-(3-chloro-2-methylphenyl)furan-2-carboxamide
CID 82344269
5-[(4-bromo-3-nitropyrazol-1-yl)methyl]-N-(3-chloro-2-methylphenyl)furan-2-carboxamide
CID 19463438
5-(benzenesulfonylmethyl)-N-(3-chloro-2-methylphenyl)furan-2-carboxamide
CID 26584463
N-ethyl-5-(piperidin-1-ylmethyl)furan-2-carboxamide
CID 19416150
N-(2-methyl-4-nitrophenyl)-5-(piperidin-1-ylmethyl)furan-2-carboxamide
CID 19415957
N-(3-acetylphenyl)-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 35336962
N-[2-(ethylamino)-4-methylphenyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 136559576
N-(3-chloro-2-methylphenyl)-5-[(3-chlorophenoxy)methyl]furan-2-carboxamide
CID 19446073

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-5-(piperidin-1-ylmethyl)furan-2-carboxamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-5-(piperidin-1-ylmethyl)furan-2-carboxamide (CID 19415881) is N-(3-chloro-2-methylphenyl)-5-(piperidin-1-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-5-(piperidin-1-ylmethyl)furan-2-carboxamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-5-(piperidin-1-ylmethyl)furan-2-carboxamide is Cc1c(Cl)cccc1NC(=O)c1ccc(CN2CCCCC2)o1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-5-(piperidin-1-ylmethyl)furan-2-carboxamide?
The InChIKey is AVSRIWCKOFVQJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O2/c1-13-15(19)6-5-7-16(13)20-18(22)17-9-8-14(23-17)12-21-10-3-2-4-11-21/h5-9H,2-4,10-12H2,1H3,(H,20,22).
What are the key properties of N-(3-chloro-2-methylphenyl)-5-(piperidin-1-ylmethyl)furan-2-carboxamide?
N-(3-chloro-2-methylphenyl)-5-(piperidin-1-ylmethyl)furan-2-carboxamide has a molecular weight of 332.83 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-5-(piperidin-1-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 19415881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).