2-chloro-5-[[5-(hydroxymethyl)furan-2-yl]methylamino]-N-methylbenzamide

C14H15ClN2O3 — CID 64593149

IUPAC2-chloro-5-[[5-(hydroxymethyl)furan-2-yl]methylamino]-N-methylbenzamide
SMILESCNC(=O)c1cc(NCc2ccc(CO)o2)ccc1Cl
InChIInChI=1S/C14H15ClN2O3/c1-16-14(19)12-6-9(2-5-13(12)15)17-7-10-3-4-11(8-18)20-10/h2-6,17-18H,7-8H2,1H3,(H,16,19)
InChIKeySHTRTOZNITYHOX-UHFFFAOYSA-N
MW294.74 g/mol
LogP2.40
Rot. Bonds5

About 2-chloro-5-[[5-(hydroxymethyl)furan-2-yl]methylamino]-N-methylbenzamide

2-chloro-5-[[5-(hydroxymethyl)furan-2-yl]methylamino]-N-methylbenzamide (PubChem CID 64593149) has the molecular formula C14H15ClN2O3 and a molecular weight of 294.74 g/mol. Its IUPAC name is 2-chloro-5-[[5-(hydroxymethyl)furan-2-yl]methylamino]-N-methylbenzamide.

Molecular Properties

Compound Name2-chloro-5-[[5-(hydroxymethyl)furan-2-yl]methylamino]-N-methylbenzamide
PubChem CID64593149
Molecular FormulaC14H15ClN2O3
Molecular Weight294.74 g/mol
Exact Mass294.08
IUPAC Name2-chloro-5-[[5-(hydroxymethyl)furan-2-yl]methylamino]-N-methylbenzamide
SMILESCNC(=O)c1cc(NCc2ccc(CO)o2)ccc1Cl
InChIInChI=1S/C14H15ClN2O3/c1-16-14(19)12-6-9(2-5-13(12)15)17-7-10-3-4-11(8-18)20-10/h2-6,17-18H,7-8H2,1H3,(H,16,19)
InChIKeySHTRTOZNITYHOX-UHFFFAOYSA-N
XLogP2.40
TPSA74.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[5-[[4-chloro-3-(methylsulfanylmethyl)anilino]methyl]furan-2-yl]methanol
CID 84594625
2-chloro-N-methyl-5-(pyridin-4-ylmethylamino)benzamide
CID 54864534
2-chloro-5-[(2,4-dimethylphenyl)methylamino]-N-methylbenzamide
CID 60936552
[5-[(4-chloroanilino)methyl]furan-2-yl]methanol
CID 64578200
2-chloro-4-[[5-(hydroxymethyl)furan-2-yl]methylamino]benzonitrile
CID 64578988
2-chloro-N-methyl-5-(1H-pyrazol-5-ylmethylamino)benzamide
CID 54865163
2-chloro-N,N-dimethyl-5-[(5-methylfuran-2-yl)methylamino]benzamide
CID 43709786
2-chloro-5-[(2-chloro-6-fluorophenyl)methylamino]-N-methylbenzamide
CID 60934687
2-chloro-5-[(4-fluoro-2-methylphenyl)methylamino]-N-methylbenzamide
CID 62134778
2-chloro-5-[(1-ethylpyrrol-2-yl)methylamino]-N-methylbenzamide
CID 66411778
2-chloro-N-methyl-5-(pyrimidin-4-ylmethylamino)benzamide
CID 55109869
2-chloro-5-[(3-fluoro-2-hydroxyphenyl)methylamino]-N-methylbenzamide
CID 115951601

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[[5-(hydroxymethyl)furan-2-yl]methylamino]-N-methylbenzamide?
The IUPAC name of 2-chloro-5-[[5-(hydroxymethyl)furan-2-yl]methylamino]-N-methylbenzamide (CID 64593149) is 2-chloro-5-[[5-(hydroxymethyl)furan-2-yl]methylamino]-N-methylbenzamide.
What is the SMILES notation for 2-chloro-5-[[5-(hydroxymethyl)furan-2-yl]methylamino]-N-methylbenzamide?
The canonical SMILES for 2-chloro-5-[[5-(hydroxymethyl)furan-2-yl]methylamino]-N-methylbenzamide is CNC(=O)c1cc(NCc2ccc(CO)o2)ccc1Cl.
What is the InChIKey of 2-chloro-5-[[5-(hydroxymethyl)furan-2-yl]methylamino]-N-methylbenzamide?
The InChIKey is SHTRTOZNITYHOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O3/c1-16-14(19)12-6-9(2-5-13(12)15)17-7-10-3-4-11(8-18)20-10/h2-6,17-18H,7-8H2,1H3,(H,16,19).
What are the key properties of 2-chloro-5-[[5-(hydroxymethyl)furan-2-yl]methylamino]-N-methylbenzamide?
2-chloro-5-[[5-(hydroxymethyl)furan-2-yl]methylamino]-N-methylbenzamide has a molecular weight of 294.74 g/mol, XLogP of 2.40, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[[5-(hydroxymethyl)furan-2-yl]methylamino]-N-methylbenzamide is sourced from PubChem (CID 64593149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).