2-chloro-N-[1-(3-propan-2-yloxyphenyl)ethyl]furan-3-carboxamide

C16H18ClNO3 — CID 106685966

IUPAC2-chloro-N-[1-(3-propan-2-yloxyphenyl)ethyl]furan-3-carboxamide
SMILESCC(C)Oc1cccc(C(C)NC(=O)c2ccoc2Cl)c1
InChIInChI=1S/C16H18ClNO3/c1-10(2)21-13-6-4-5-12(9-13)11(3)18-16(19)14-7-8-20-15(14)17/h4-11H,1-3H3,(H,18,19)
InChIKeyLQXTXBQRTPUOJC-UHFFFAOYSA-N
MW307.78 g/mol
LogP4.21
Rot. Bonds5

About 2-chloro-N-[1-(3-propan-2-yloxyphenyl)ethyl]furan-3-carboxamide

2-chloro-N-[1-(3-propan-2-yloxyphenyl)ethyl]furan-3-carboxamide (PubChem CID 106685966) has the molecular formula C16H18ClNO3 and a molecular weight of 307.78 g/mol. Its IUPAC name is 2-chloro-N-[1-(3-propan-2-yloxyphenyl)ethyl]furan-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[1-(3-propan-2-yloxyphenyl)ethyl]furan-3-carboxamide
PubChem CID106685966
Molecular FormulaC16H18ClNO3
Molecular Weight307.78 g/mol
Exact Mass307.10
IUPAC Name2-chloro-N-[1-(3-propan-2-yloxyphenyl)ethyl]furan-3-carboxamide
SMILESCC(C)Oc1cccc(C(C)NC(=O)c2ccoc2Cl)c1
InChIInChI=1S/C16H18ClNO3/c1-10(2)21-13-6-4-5-12(9-13)11(3)18-16(19)14-7-8-20-15(14)17/h4-11H,1-3H3,(H,18,19)
InChIKeyLQXTXBQRTPUOJC-UHFFFAOYSA-N
XLogP4.21
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-methylfuran-3-carboxamide
CID 42961734
3-chloro-N-[1-(3-propan-2-yloxyphenyl)ethyl]benzamide
CID 46487521
2-methyl-N-[2-oxo-2-[[(1S)-1-(3-propan-2-yloxyphenyl)ethyl]amino]ethyl]furan-3-carboxamide
CID 94488168
N-[(1S)-1-(4-bromophenyl)ethyl]-2-chlorofuran-3-carboxamide
CID 106832394
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-chlorofuran-3-carboxamide
CID 106685734
2-bromo-4-fluoro-N-[(1R)-1-(3-propan-2-yloxyphenyl)ethyl]benzamide
CID 51727732
(2R)-2-amino-N-[1-(3-propan-2-yloxyphenyl)ethyl]propanamide
CID 54995688
N-[1-(3-propan-2-yloxyphenyl)ethyl]-1,2,5-thiadiazole-3-carboxamide
CID 47262615
2-chloro-4,5-difluoro-N-[(1S)-1-(3-methoxyphenyl)ethyl]benzamide
CID 42563597
2-(difluoromethylsulfanyl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]pyridine-3-carboxamide
CID 55717744
3-amino-N-[1-(3-propan-2-yloxyphenyl)ethyl]benzamide;hydrochloride
CID 119721111
2-(methylamino)-N-[1-(3-propan-2-yloxyphenyl)ethyl]acetamide
CID 43705705

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(3-propan-2-yloxyphenyl)ethyl]furan-3-carboxamide?
The IUPAC name of 2-chloro-N-[1-(3-propan-2-yloxyphenyl)ethyl]furan-3-carboxamide (CID 106685966) is 2-chloro-N-[1-(3-propan-2-yloxyphenyl)ethyl]furan-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[1-(3-propan-2-yloxyphenyl)ethyl]furan-3-carboxamide?
The canonical SMILES for 2-chloro-N-[1-(3-propan-2-yloxyphenyl)ethyl]furan-3-carboxamide is CC(C)Oc1cccc(C(C)NC(=O)c2ccoc2Cl)c1.
What is the InChIKey of 2-chloro-N-[1-(3-propan-2-yloxyphenyl)ethyl]furan-3-carboxamide?
The InChIKey is LQXTXBQRTPUOJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO3/c1-10(2)21-13-6-4-5-12(9-13)11(3)18-16(19)14-7-8-20-15(14)17/h4-11H,1-3H3,(H,18,19).
What are the key properties of 2-chloro-N-[1-(3-propan-2-yloxyphenyl)ethyl]furan-3-carboxamide?
2-chloro-N-[1-(3-propan-2-yloxyphenyl)ethyl]furan-3-carboxamide has a molecular weight of 307.78 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(3-propan-2-yloxyphenyl)ethyl]furan-3-carboxamide is sourced from PubChem (CID 106685966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).