2-chloro-N-methyl-N-[(4-methylphenyl)methyl]furan-3-carboxamide

C14H14ClNO2 — CID 106685341

IUPAC2-chloro-N-methyl-N-[(4-methylphenyl)methyl]furan-3-carboxamide
SMILESCc1ccc(CN(C)C(=O)c2ccoc2Cl)cc1
InChIInChI=1S/C14H14ClNO2/c1-10-3-5-11(6-4-10)9-16(2)14(17)12-7-8-18-13(12)15/h3-8H,9H2,1-2H3
InChIKeyCPXVGCRQUZYMDA-UHFFFAOYSA-N
MW263.72 g/mol
LogP3.51
Rot. Bonds3

About 2-chloro-N-methyl-N-[(4-methylphenyl)methyl]furan-3-carboxamide

2-chloro-N-methyl-N-[(4-methylphenyl)methyl]furan-3-carboxamide (PubChem CID 106685341) has the molecular formula C14H14ClNO2 and a molecular weight of 263.72 g/mol. Its IUPAC name is 2-chloro-N-methyl-N-[(4-methylphenyl)methyl]furan-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-methyl-N-[(4-methylphenyl)methyl]furan-3-carboxamide
PubChem CID106685341
Molecular FormulaC14H14ClNO2
Molecular Weight263.72 g/mol
Exact Mass263.07
IUPAC Name2-chloro-N-methyl-N-[(4-methylphenyl)methyl]furan-3-carboxamide
SMILESCc1ccc(CN(C)C(=O)c2ccoc2Cl)cc1
InChIInChI=1S/C14H14ClNO2/c1-10-3-5-11(6-4-10)9-16(2)14(17)12-7-8-18-13(12)15/h3-8H,9H2,1-2H3
InChIKeyCPXVGCRQUZYMDA-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

2-chloro-N-(furan-3-ylmethyl)-N-methylfuran-3-carboxamide
CID 106686601
2-chloro-N-[(4-methylphenyl)methyl]-N-propylfuran-3-carboxamide
CID 106686184
2-chloro-N-ethyl-N-methylfuran-3-carboxamide
CID 106685381
N-[(5-bromothiophen-3-yl)methyl]-2-chloro-N-methylfuran-3-carboxamide
CID 106685074
N-(2-bromoethyl)-2-chloro-N-methylfuran-3-carboxamide
CID 106689914
2,3-difluoro-N-methyl-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide
CID 105380304
2-chloro-N-methyl-N-[(3-nitrophenyl)methyl]furan-3-carboxamide
CID 106686292
5-bromo-2-chloro-N-methyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 62000237
2-[methyl-[(4-methylphenyl)methyl]carbamoyl]benzoic acid
CID 28798661
N-[(4-chlorophenyl)methyl]-N,2,5-trimethylbenzamide
CID 100542363
2-bromo-N-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 28799501
2-bromo-N-methyl-N-(pyridin-4-ylmethyl)furan-3-carboxamide
CID 106852639

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-N-[(4-methylphenyl)methyl]furan-3-carboxamide?
The IUPAC name of 2-chloro-N-methyl-N-[(4-methylphenyl)methyl]furan-3-carboxamide (CID 106685341) is 2-chloro-N-methyl-N-[(4-methylphenyl)methyl]furan-3-carboxamide.
What is the SMILES notation for 2-chloro-N-methyl-N-[(4-methylphenyl)methyl]furan-3-carboxamide?
The canonical SMILES for 2-chloro-N-methyl-N-[(4-methylphenyl)methyl]furan-3-carboxamide is Cc1ccc(CN(C)C(=O)c2ccoc2Cl)cc1.
What is the InChIKey of 2-chloro-N-methyl-N-[(4-methylphenyl)methyl]furan-3-carboxamide?
The InChIKey is CPXVGCRQUZYMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO2/c1-10-3-5-11(6-4-10)9-16(2)14(17)12-7-8-18-13(12)15/h3-8H,9H2,1-2H3.
What are the key properties of 2-chloro-N-methyl-N-[(4-methylphenyl)methyl]furan-3-carboxamide?
2-chloro-N-methyl-N-[(4-methylphenyl)methyl]furan-3-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 2-chloro-N-methyl-N-[(4-methylphenyl)methyl]furan-3-carboxamide is sourced from PubChem (CID 106685341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).