5-chloro-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]furan-2-carboxamide

C17H19ClN2O3 — CID 29475175

IUPAC5-chloro-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]furan-2-carboxamide
SMILESO=C(NCc1ccc(CN2CCOCC2)cc1)c1ccc(Cl)o1
InChIInChI=1S/C17H19ClN2O3/c18-16-6-5-15(23-16)17(21)19-11-13-1-3-14(4-2-13)12-20-7-9-22-10-8-20/h1-6H,7-12H2,(H,19,21)
InChIKeyIUJAQZJPEHNOCU-UHFFFAOYSA-N
MW334.80 g/mol
LogP2.70
Rot. Bonds5

About 5-chloro-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]furan-2-carboxamide

5-chloro-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]furan-2-carboxamide (PubChem CID 29475175) has the molecular formula C17H19ClN2O3 and a molecular weight of 334.80 g/mol. Its IUPAC name is 5-chloro-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]furan-2-carboxamide
PubChem CID29475175
Molecular FormulaC17H19ClN2O3
Molecular Weight334.80 g/mol
Exact Mass334.11
IUPAC Name5-chloro-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]furan-2-carboxamide
SMILESO=C(NCc1ccc(CN2CCOCC2)cc1)c1ccc(Cl)o1
InChIInChI=1S/C17H19ClN2O3/c18-16-6-5-15(23-16)17(21)19-11-13-1-3-14(4-2-13)12-20-7-9-22-10-8-20/h1-6H,7-12H2,(H,19,21)
InChIKeyIUJAQZJPEHNOCU-UHFFFAOYSA-N
XLogP2.70
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.80
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide
CID 78868141
N-benzyl-4-(morpholin-4-ylmethyl)benzamide
CID 786772
6-chloro-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-4-oxochromene-2-carboxamide
CID 18775293
N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]thiophene-2-carboxamide
CID 18117454
3,4-dimethyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 17397484
2-bromo-5-methoxy-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 17473474
1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-3-(pyridin-4-ylmethyl)urea
CID 86916245
N-benzyl-5-[(4-benzylpiperazin-1-yl)methyl]furan-2-carboxamide
CID 46055527
N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]hydroxylamine
CID 117318560
2-methoxy-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 17437691
4,5-dimethyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]thiophene-2-carboxamide
CID 31445799
3,4,5-trimethoxy-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 27890450

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]furan-2-carboxamide?
The IUPAC name of 5-chloro-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]furan-2-carboxamide (CID 29475175) is 5-chloro-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]furan-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]furan-2-carboxamide?
The canonical SMILES for 5-chloro-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]furan-2-carboxamide is O=C(NCc1ccc(CN2CCOCC2)cc1)c1ccc(Cl)o1.
What is the InChIKey of 5-chloro-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]furan-2-carboxamide?
The InChIKey is IUJAQZJPEHNOCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3/c18-16-6-5-15(23-16)17(21)19-11-13-1-3-14(4-2-13)12-20-7-9-22-10-8-20/h1-6H,7-12H2,(H,19,21).
What are the key properties of 5-chloro-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]furan-2-carboxamide?
5-chloro-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]furan-2-carboxamide has a molecular weight of 334.80 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]furan-2-carboxamide is sourced from PubChem (CID 29475175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).