N-[1-(3-chlorophenyl)propyl]furan-3-carboxamide

C14H14ClNO2 — CID 75871852

IUPACN-[1-(3-chlorophenyl)propyl]furan-3-carboxamide
SMILESCCC(NC(=O)c1ccoc1)c1cccc(Cl)c1
InChIInChI=1S/C14H14ClNO2/c1-2-13(10-4-3-5-12(15)8-10)16-14(17)11-6-7-18-9-11/h3-9,13H,2H2,1H3,(H,16,17)
InChIKeyWEAKMMLRAJBHRG-UHFFFAOYSA-N
MW263.72 g/mol
LogP3.81
Rot. Bonds4

About N-[1-(3-chlorophenyl)propyl]furan-3-carboxamide

N-[1-(3-chlorophenyl)propyl]furan-3-carboxamide (PubChem CID 75871852) has the molecular formula C14H14ClNO2 and a molecular weight of 263.72 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)propyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)propyl]furan-3-carboxamide
PubChem CID75871852
Molecular FormulaC14H14ClNO2
Molecular Weight263.72 g/mol
Exact Mass263.07
IUPAC NameN-[1-(3-chlorophenyl)propyl]furan-3-carboxamide
SMILESCCC(NC(=O)c1ccoc1)c1cccc(Cl)c1
InChIInChI=1S/C14H14ClNO2/c1-2-13(10-4-3-5-12(15)8-10)16-14(17)11-6-7-18-9-11/h3-9,13H,2H2,1H3,(H,16,17)
InChIKeyWEAKMMLRAJBHRG-UHFFFAOYSA-N
XLogP3.81
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.72
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-(4-chlorophenyl)propyl]furan-3-carboxamide
CID 41490385
N-[1-(3-chlorophenyl)ethyl]furan-3-carboxamide
CID 51264786
4-bromo-N-[1-(3-chlorophenyl)propyl]-3-fluorobenzamide
CID 63526336
N-[(1R)-2-hydroxy-1-phenylethyl]furan-3-carboxamide
CID 113258885
N-[1-(3-chlorophenyl)propyl]thiophene-2-carboxamide
CID 46587498
6-chloro-N-[1-(3-chlorophenyl)propyl]pyridine-2-carboxamide
CID 62234195
N-[1-(3-chlorophenyl)propyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 55583237
N-[1-(3-chlorophenyl)propyl]-2-fluoro-5-methylbenzamide
CID 62511498
N-[1-(3-chlorophenyl)propyl]-6-fluoropyridine-2-carboxamide
CID 115497155
N-[1-(3-chlorophenyl)propyl]-4-(propan-2-ylamino)butanamide
CID 60849558
1-[1-(3-chlorophenyl)propyl]-3-(2-hydroxyethyl)urea
CID 110894209
N-[(1R)-1-(4-chlorophenyl)-2-(dimethylamino)ethyl]furan-3-carboxamide
CID 124872786

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)propyl]furan-3-carboxamide?
The IUPAC name of N-[1-(3-chlorophenyl)propyl]furan-3-carboxamide (CID 75871852) is N-[1-(3-chlorophenyl)propyl]furan-3-carboxamide.
What is the SMILES notation for N-[1-(3-chlorophenyl)propyl]furan-3-carboxamide?
The canonical SMILES for N-[1-(3-chlorophenyl)propyl]furan-3-carboxamide is CCC(NC(=O)c1ccoc1)c1cccc(Cl)c1.
What is the InChIKey of N-[1-(3-chlorophenyl)propyl]furan-3-carboxamide?
The InChIKey is WEAKMMLRAJBHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO2/c1-2-13(10-4-3-5-12(15)8-10)16-14(17)11-6-7-18-9-11/h3-9,13H,2H2,1H3,(H,16,17).
What are the key properties of N-[1-(3-chlorophenyl)propyl]furan-3-carboxamide?
N-[1-(3-chlorophenyl)propyl]furan-3-carboxamide has a molecular weight of 263.72 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)propyl]furan-3-carboxamide is sourced from PubChem (CID 75871852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).