N-[[4-(chloromethyl)phenyl]methyl]-5-methylfuran-3-carboxamide

C14H14ClNO2 — CID 107233315

IUPACN-[[4-(chloromethyl)phenyl]methyl]-5-methylfuran-3-carboxamide
SMILESCc1cc(C(=O)NCc2ccc(CCl)cc2)co1
InChIInChI=1S/C14H14ClNO2/c1-10-6-13(9-18-10)14(17)16-8-12-4-2-11(7-15)3-5-12/h2-6,9H,7-8H2,1H3,(H,16,17)
InChIKeyNXPKQEQSZXAZLG-UHFFFAOYSA-N
MW263.72 g/mol
LogP3.26
Rot. Bonds4

About N-[[4-(chloromethyl)phenyl]methyl]-5-methylfuran-3-carboxamide

N-[[4-(chloromethyl)phenyl]methyl]-5-methylfuran-3-carboxamide (PubChem CID 107233315) has the molecular formula C14H14ClNO2 and a molecular weight of 263.72 g/mol. Its IUPAC name is N-[[4-(chloromethyl)phenyl]methyl]-5-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(chloromethyl)phenyl]methyl]-5-methylfuran-3-carboxamide
PubChem CID107233315
Molecular FormulaC14H14ClNO2
Molecular Weight263.72 g/mol
Exact Mass263.07
IUPAC NameN-[[4-(chloromethyl)phenyl]methyl]-5-methylfuran-3-carboxamide
SMILESCc1cc(C(=O)NCc2ccc(CCl)cc2)co1
InChIInChI=1S/C14H14ClNO2/c1-10-6-13(9-18-10)14(17)16-8-12-4-2-11(7-15)3-5-12/h2-6,9H,7-8H2,1H3,(H,16,17)
InChIKeyNXPKQEQSZXAZLG-UHFFFAOYSA-N
XLogP3.26
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.72
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(bromomethyl)phenyl]methyl]-5-methylfuran-3-carboxamide
CID 107233651
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-5-methylfuran-3-carboxamide
CID 105357534
4-(chloromethyl)-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide
CID 107230293
N-[(3-cyanophenyl)methyl]-5-methylfuran-3-carboxamide
CID 114820614
N-[[4-(chloromethyl)phenyl]methyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 107233243
5-methyl-N-[3-(methylamino)propyl]furan-3-carboxamide
CID 114819329
4-bromo-N-[[4-(chloromethyl)phenyl]methyl]benzamide
CID 107233417
N-[[4-(chloromethyl)phenyl]methyl]-2,4-dimethylbenzamide
CID 107233380
N-[3-(2-chloroethoxy)propyl]-5-methylfuran-3-carboxamide
CID 106306849
2-[4-(chloromethyl)phenyl]-N-[(4-methylphenyl)methyl]acetamide
CID 59915565
N-[[4-(chloromethyl)phenyl]methyl]thiophene-3-carboxamide
CID 107233527
N-[[4-(chloromethyl)phenyl]methyl]-5-fluoro-2-methylbenzamide
CID 107233293

Frequently Asked Questions

What is the IUPAC name of N-[[4-(chloromethyl)phenyl]methyl]-5-methylfuran-3-carboxamide?
The IUPAC name of N-[[4-(chloromethyl)phenyl]methyl]-5-methylfuran-3-carboxamide (CID 107233315) is N-[[4-(chloromethyl)phenyl]methyl]-5-methylfuran-3-carboxamide.
What is the SMILES notation for N-[[4-(chloromethyl)phenyl]methyl]-5-methylfuran-3-carboxamide?
The canonical SMILES for N-[[4-(chloromethyl)phenyl]methyl]-5-methylfuran-3-carboxamide is Cc1cc(C(=O)NCc2ccc(CCl)cc2)co1.
What is the InChIKey of N-[[4-(chloromethyl)phenyl]methyl]-5-methylfuran-3-carboxamide?
The InChIKey is NXPKQEQSZXAZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO2/c1-10-6-13(9-18-10)14(17)16-8-12-4-2-11(7-15)3-5-12/h2-6,9H,7-8H2,1H3,(H,16,17).
What are the key properties of N-[[4-(chloromethyl)phenyl]methyl]-5-methylfuran-3-carboxamide?
N-[[4-(chloromethyl)phenyl]methyl]-5-methylfuran-3-carboxamide has a molecular weight of 263.72 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(chloromethyl)phenyl]methyl]-5-methylfuran-3-carboxamide is sourced from PubChem (CID 107233315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).