N-[(3-chlorophenyl)methyl]-N,3-dimethylfuran-2-carboxamide

C14H14ClNO2 — CID 134044846

IUPACN-[(3-chlorophenyl)methyl]-N,3-dimethylfuran-2-carboxamide
SMILESCc1ccoc1C(=O)N(C)Cc1cccc(Cl)c1
InChIInChI=1S/C14H14ClNO2/c1-10-6-7-18-13(10)14(17)16(2)9-11-4-3-5-12(15)8-11/h3-8H,9H2,1-2H3
InChIKeyNVNUEPLQSAQHAS-UHFFFAOYSA-N
MW263.72 g/mol
LogP3.51
Rot. Bonds3

About N-[(3-chlorophenyl)methyl]-N,3-dimethylfuran-2-carboxamide

N-[(3-chlorophenyl)methyl]-N,3-dimethylfuran-2-carboxamide (PubChem CID 134044846) has the molecular formula C14H14ClNO2 and a molecular weight of 263.72 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-N,3-dimethylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-N,3-dimethylfuran-2-carboxamide
PubChem CID134044846
Molecular FormulaC14H14ClNO2
Molecular Weight263.72 g/mol
Exact Mass263.07
IUPAC NameN-[(3-chlorophenyl)methyl]-N,3-dimethylfuran-2-carboxamide
SMILESCc1ccoc1C(=O)N(C)Cc1cccc(Cl)c1
InChIInChI=1S/C14H14ClNO2/c1-10-6-7-18-13(10)14(17)16(2)9-11-4-3-5-12(15)8-11/h3-8H,9H2,1-2H3
InChIKeyNVNUEPLQSAQHAS-UHFFFAOYSA-N
XLogP3.51
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.72
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(benzenesulfonylmethyl)-N-[(3-chlorophenyl)methyl]-N-methylfuran-2-carboxamide
CID 46664583
N-[5-[(3-chlorophenyl)methyl-methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 27795274
5-[(3-chlorophenyl)methyl-methylcarbamoyl]furan-3-carboxylic acid
CID 104607255
5-amino-N-[(3-chlorophenyl)methyl]-N,2,4-trimethylbenzamide
CID 102705155
N-[(3-chlorophenyl)methyl]-N,4-dimethyl-3-nitrobenzamide
CID 27795202
3-bromo-4-chloro-N-[(3-chlorophenyl)methyl]-N-methylbenzamide
CID 107999288
N-[(4-ethoxyphenyl)methyl]-N,3-dimethylfuran-2-carboxamide
CID 134044703
N-[(3-chlorophenyl)methyl]-N-methyl-3,5-dinitrobenzamide
CID 27795250
N-[(3-chlorophenyl)methyl]-N,2,3-trimethylquinoxaline-6-carboxamide
CID 39966358
3-acetamido-N-[(3-chlorophenyl)methyl]-N-methylbenzamide
CID 27795286
N-[(3-chlorophenyl)methyl]-N-methyl-4-pyrrol-1-ylbenzamide
CID 24545195
5-amino-N-[(3-chlorophenyl)methyl]-2-fluoro-N,3-dimethylbenzamide
CID 103296048

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-N,3-dimethylfuran-2-carboxamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-N,3-dimethylfuran-2-carboxamide (CID 134044846) is N-[(3-chlorophenyl)methyl]-N,3-dimethylfuran-2-carboxamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-N,3-dimethylfuran-2-carboxamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-N,3-dimethylfuran-2-carboxamide is Cc1ccoc1C(=O)N(C)Cc1cccc(Cl)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-N,3-dimethylfuran-2-carboxamide?
The InChIKey is NVNUEPLQSAQHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO2/c1-10-6-7-18-13(10)14(17)16(2)9-11-4-3-5-12(15)8-11/h3-8H,9H2,1-2H3.
What are the key properties of N-[(3-chlorophenyl)methyl]-N,3-dimethylfuran-2-carboxamide?
N-[(3-chlorophenyl)methyl]-N,3-dimethylfuran-2-carboxamide has a molecular weight of 263.72 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-N,3-dimethylfuran-2-carboxamide is sourced from PubChem (CID 134044846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).