5-chloro-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]furan-2-carboxamide

C15H17ClN2O3 — CID 106685549

IUPAC5-chloro-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]furan-2-carboxamide
SMILESCCN(CCO)c1ccc(NC(=O)c2ccc(Cl)o2)cc1
InChIInChI=1S/C15H17ClN2O3/c1-2-18(9-10-19)12-5-3-11(4-6-12)17-15(20)13-7-8-14(16)21-13/h3-8,19H,2,9-10H2,1H3,(H,17,20)
InChIKeyCMIWNDWYOSRUEX-UHFFFAOYSA-N
MW308.77 g/mol
LogP3.00
Rot. Bonds6

About 5-chloro-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]furan-2-carboxamide

5-chloro-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]furan-2-carboxamide (PubChem CID 106685549) has the molecular formula C15H17ClN2O3 and a molecular weight of 308.77 g/mol. Its IUPAC name is 5-chloro-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]furan-2-carboxamide
PubChem CID106685549
Molecular FormulaC15H17ClN2O3
Molecular Weight308.77 g/mol
Exact Mass308.09
IUPAC Name5-chloro-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]furan-2-carboxamide
SMILESCCN(CCO)c1ccc(NC(=O)c2ccc(Cl)o2)cc1
InChIInChI=1S/C15H17ClN2O3/c1-2-18(9-10-19)12-5-3-11(4-6-12)17-15(20)13-7-8-14(16)21-13/h3-8,19H,2,9-10H2,1H3,(H,17,20)
InChIKeyCMIWNDWYOSRUEX-UHFFFAOYSA-N
XLogP3.00
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-[4-(diethylamino)phenyl]furan-2-carboxamide
CID 738269
2-[4-[(5-chlorofuran-2-yl)methylamino]-N-ethylanilino]ethanol
CID 60932137
N-[4-(bromomethyl)phenyl]-5-chlorofuran-2-carboxamide
CID 106690051
5-bromo-N-[4-[2-[ethyl(2-hydroxyethyl)amino]-2-oxoethyl]phenyl]furan-2-carboxamide
CID 78896961
N-[4-(diethylamino)phenyl]-5-(methoxymethyl)furan-2-carboxamide
CID 30838668
N-[4-(diethylamino)phenyl]-5-[(2,3,4,5,6-pentachlorophenoxy)methyl]furan-2-carboxamide
CID 19465788
N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-4-hydroxybutanamide
CID 79204146
3-amino-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-2,2-dimethylpropanamide
CID 115426342
N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-1H-pyrazole-4-carboxamide
CID 60933546
N-[4-(diethylamino)phenyl]-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide
CID 21047933
tert-butyl N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]carbamate
CID 65143042
N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-5-iodothiophene-3-carboxamide
CID 79691493

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]furan-2-carboxamide?
The IUPAC name of 5-chloro-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]furan-2-carboxamide (CID 106685549) is 5-chloro-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]furan-2-carboxamide?
The canonical SMILES for 5-chloro-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]furan-2-carboxamide is CCN(CCO)c1ccc(NC(=O)c2ccc(Cl)o2)cc1.
What is the InChIKey of 5-chloro-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]furan-2-carboxamide?
The InChIKey is CMIWNDWYOSRUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O3/c1-2-18(9-10-19)12-5-3-11(4-6-12)17-15(20)13-7-8-14(16)21-13/h3-8,19H,2,9-10H2,1H3,(H,17,20).
What are the key properties of 5-chloro-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]furan-2-carboxamide?
5-chloro-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]furan-2-carboxamide has a molecular weight of 308.77 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]furan-2-carboxamide is sourced from PubChem (CID 106685549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).