5-chloro-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]furan-2-carboxamide

C17H18ClN3O4 — CID 46537419

IUPAC5-chloro-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]furan-2-carboxamide
SMILESO=C(NCC1CCCO1)Nc1ccc(NC(=O)c2ccc(Cl)o2)cc1
InChIInChI=1S/C17H18ClN3O4/c18-15-8-7-14(25-15)16(22)20-11-3-5-12(6-4-11)21-17(23)19-10-13-2-1-9-24-13/h3-8,13H,1-2,9-10H2,(H,20,22)(H2,19,21,23)
InChIKeyWLQABDPGUZQTCC-UHFFFAOYSA-N
MW363.80 g/mol
LogP3.49
Rot. Bonds5

About 5-chloro-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]furan-2-carboxamide

5-chloro-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]furan-2-carboxamide (PubChem CID 46537419) has the molecular formula C17H18ClN3O4 and a molecular weight of 363.80 g/mol. Its IUPAC name is 5-chloro-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]furan-2-carboxamide
PubChem CID46537419
Molecular FormulaC17H18ClN3O4
Molecular Weight363.80 g/mol
Exact Mass363.10
IUPAC Name5-chloro-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]furan-2-carboxamide
SMILESO=C(NCC1CCCO1)Nc1ccc(NC(=O)c2ccc(Cl)o2)cc1
InChIInChI=1S/C17H18ClN3O4/c18-15-8-7-14(25-15)16(22)20-11-3-5-12(6-4-11)21-17(23)19-10-13-2-1-9-24-13/h3-8,13H,1-2,9-10H2,(H,20,22)(H2,19,21,23)
InChIKeyWLQABDPGUZQTCC-UHFFFAOYSA-N
XLogP3.49
TPSA92.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.80
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-iodo-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]benzamide
CID 55527587
1-[[(2R)-oxolan-2-yl]methyl]-3-[4-(propan-2-ylsulfonylmethyl)phenyl]urea
CID 94427132
1-(3,5-dichlorophenyl)-3-(oxolan-2-ylmethyl)urea
CID 6466967
4-(oxolan-2-ylmethylcarbamoylamino)-N-propan-2-ylbenzamide
CID 17180641
1-cyclohexyl-3-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]urea
CID 134039404
4-oxo-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]chromene-2-carboxamide
CID 55524189
1-(4-chloro-3-fluorophenyl)-3-(oxolan-2-ylmethyl)urea
CID 47223543
3-fluoro-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]benzamide
CID 75800008
1-[4-(methanesulfonamido)phenyl]-3-(oxolan-2-ylmethyl)urea
CID 108875185
2-[4-(2-methylpropyl)phenyl]-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]acetamide
CID 55527592
2,5-difluoro-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]benzamide
CID 134050539
2-[[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120974690

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]furan-2-carboxamide?
The IUPAC name of 5-chloro-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]furan-2-carboxamide (CID 46537419) is 5-chloro-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]furan-2-carboxamide?
The canonical SMILES for 5-chloro-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]furan-2-carboxamide is O=C(NCC1CCCO1)Nc1ccc(NC(=O)c2ccc(Cl)o2)cc1.
What is the InChIKey of 5-chloro-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]furan-2-carboxamide?
The InChIKey is WLQABDPGUZQTCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O4/c18-15-8-7-14(25-15)16(22)20-11-3-5-12(6-4-11)21-17(23)19-10-13-2-1-9-24-13/h3-8,13H,1-2,9-10H2,(H,20,22)(H2,19,21,23).
What are the key properties of 5-chloro-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]furan-2-carboxamide?
5-chloro-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]furan-2-carboxamide has a molecular weight of 363.80 g/mol, XLogP of 3.49, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]furan-2-carboxamide is sourced from PubChem (CID 46537419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).