N-[(1S)-1-(4-chlorophenyl)propyl]furan-3-carboxamide

C14H14ClNO2 — CID 41490385

IUPACN-[(1S)-1-(4-chlorophenyl)propyl]furan-3-carboxamide
SMILESCC[C@H](NC(=O)c1ccoc1)c1ccc(Cl)cc1
InChIInChI=1S/C14H14ClNO2/c1-2-13(10-3-5-12(15)6-4-10)16-14(17)11-7-8-18-9-11/h3-9,13H,2H2,1H3,(H,16,17)/t13-/m0/s1
InChIKeyAEWGHYFXKMJTAZ-ZDUSSCGKSA-N
MW263.72 g/mol
LogP3.81
Rot. Bonds4

About N-[(1S)-1-(4-chlorophenyl)propyl]furan-3-carboxamide

N-[(1S)-1-(4-chlorophenyl)propyl]furan-3-carboxamide (PubChem CID 41490385) has the molecular formula C14H14ClNO2 and a molecular weight of 263.72 g/mol. Its IUPAC name is N-[(1S)-1-(4-chlorophenyl)propyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-chlorophenyl)propyl]furan-3-carboxamide
PubChem CID41490385
Molecular FormulaC14H14ClNO2
Molecular Weight263.72 g/mol
Exact Mass263.07
IUPAC NameN-[(1S)-1-(4-chlorophenyl)propyl]furan-3-carboxamide
SMILESCC[C@H](NC(=O)c1ccoc1)c1ccc(Cl)cc1
InChIInChI=1S/C14H14ClNO2/c1-2-13(10-3-5-12(15)6-4-10)16-14(17)11-7-8-18-9-11/h3-9,13H,2H2,1H3,(H,16,17)/t13-/m0/s1
InChIKeyAEWGHYFXKMJTAZ-ZDUSSCGKSA-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-[(1R)-1-(4-chlorophenyl)-2-(dimethylamino)ethyl]furan-3-carboxamide
CID 124872786
N-[1-(3-chlorophenyl)propyl]furan-3-carboxamide
CID 75871852
4-chloro-N-[(1R)-1-(4-methylphenyl)propyl]benzamide
CID 841144
N-[(1R)-1-(4-chlorophenyl)propyl]-4-(1,2,4-triazol-4-yl)benzamide
CID 52522157
N-[1-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 110898699
N-[1-(4-chlorophenyl)propyl]-4-(3-hydroxyoxetan-3-yl)benzamide
CID 166266588
N-[(1R)-2-hydroxy-1-phenylethyl]furan-3-carboxamide
CID 113258885
(3R)-3-(4-bromophenyl)-3-(furan-3-carbonylamino)propanoic acid
CID 97209280
4-chloro-N-[(1S)-1-(3,4-dimethylphenyl)propyl]benzamide
CID 99994348
3-(4-bromophenyl)-3-(furan-3-carbonylamino)propanoic acid
CID 75417900
(3R)-3-(4-chloro-3-fluorophenyl)-3-(furan-3-carbonylamino)propanoic acid
CID 97337496
N-[1-(4-chlorophenyl)propyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 17467880

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-chlorophenyl)propyl]furan-3-carboxamide?
The IUPAC name of N-[(1S)-1-(4-chlorophenyl)propyl]furan-3-carboxamide (CID 41490385) is N-[(1S)-1-(4-chlorophenyl)propyl]furan-3-carboxamide.
What is the SMILES notation for N-[(1S)-1-(4-chlorophenyl)propyl]furan-3-carboxamide?
The canonical SMILES for N-[(1S)-1-(4-chlorophenyl)propyl]furan-3-carboxamide is CC[C@H](NC(=O)c1ccoc1)c1ccc(Cl)cc1.
What is the InChIKey of N-[(1S)-1-(4-chlorophenyl)propyl]furan-3-carboxamide?
The InChIKey is AEWGHYFXKMJTAZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H14ClNO2/c1-2-13(10-3-5-12(15)6-4-10)16-14(17)11-7-8-18-9-11/h3-9,13H,2H2,1H3,(H,16,17)/t13-/m0/s1.
What are the key properties of N-[(1S)-1-(4-chlorophenyl)propyl]furan-3-carboxamide?
N-[(1S)-1-(4-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-[(1S)-1-(4-chlorophenyl)propyl]furan-3-carboxamide is sourced from PubChem (CID 41490385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).