N-[1-(4-chlorophenyl)propyl]-4-(3-hydroxyoxetan-3-yl)benzamide

C19H20ClNO3 — CID 166266588

IUPACN-[1-(4-chlorophenyl)propyl]-4-(3-hydroxyoxetan-3-yl)benzamide
SMILESCCC(NC(=O)c1ccc(C2(O)COC2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H20ClNO3/c1-2-17(13-5-9-16(20)10-6-13)21-18(22)14-3-7-15(8-4-14)19(23)11-24-12-19/h3-10,17,23H,2,11-12H2,1H3,(H,21,22)
InChIKeyWZTPLZXVHDMBKX-UHFFFAOYSA-N
MW345.83 g/mol
LogP3.44
Rot. Bonds5

About N-[1-(4-chlorophenyl)propyl]-4-(3-hydroxyoxetan-3-yl)benzamide

N-[1-(4-chlorophenyl)propyl]-4-(3-hydroxyoxetan-3-yl)benzamide (PubChem CID 166266588) has the molecular formula C19H20ClNO3 and a molecular weight of 345.83 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)propyl]-4-(3-hydroxyoxetan-3-yl)benzamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)propyl]-4-(3-hydroxyoxetan-3-yl)benzamide
PubChem CID166266588
Molecular FormulaC19H20ClNO3
Molecular Weight345.83 g/mol
Exact Mass345.11
IUPAC NameN-[1-(4-chlorophenyl)propyl]-4-(3-hydroxyoxetan-3-yl)benzamide
SMILESCCC(NC(=O)c1ccc(C2(O)COC2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H20ClNO3/c1-2-17(13-5-9-16(20)10-6-13)21-18(22)14-3-7-15(8-4-14)19(23)11-24-12-19/h3-10,17,23H,2,11-12H2,1H3,(H,21,22)
InChIKeyWZTPLZXVHDMBKX-UHFFFAOYSA-N
XLogP3.44
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[(1R)-1-(4-methylphenyl)propyl]benzamide
CID 841144
N-[(1S)-1-(4-chlorophenyl)propyl]furan-3-carboxamide
CID 41490385
4-chloro-N-[(1S)-1-(3,4-dimethylphenyl)propyl]benzamide
CID 99994348
N-[1-(4-chlorophenyl)propyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 17467880
N-[(1R)-1-(4-chlorophenyl)propyl]-4-(1,2,4-triazol-4-yl)benzamide
CID 52522157
1-N,4-N-bis(1-phenylpropyl)benzene-1,4-dicarboxamide
CID 43912072
N-(1-phenylpropyl)-4-propan-2-ylbenzamide
CID 17327920
N-[1-(4-chlorophenyl)propyl]-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
CID 55497440
N-[1-(4-chlorophenyl)propyl]-4-(1,2,4-triazol-1-yl)benzamide
CID 16602955
4-methoxy-N-[1-(4-methoxyphenyl)propyl]benzamide
CID 43904504
N-[1-(4-chlorophenyl)propyl]-2,6-dimethylpyridine-3-carboxamide
CID 55871607
2-amino-N-[1-(4-chlorophenyl)propyl]benzamide
CID 61214980

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)propyl]-4-(3-hydroxyoxetan-3-yl)benzamide?
The IUPAC name of N-[1-(4-chlorophenyl)propyl]-4-(3-hydroxyoxetan-3-yl)benzamide (CID 166266588) is N-[1-(4-chlorophenyl)propyl]-4-(3-hydroxyoxetan-3-yl)benzamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)propyl]-4-(3-hydroxyoxetan-3-yl)benzamide?
The canonical SMILES for N-[1-(4-chlorophenyl)propyl]-4-(3-hydroxyoxetan-3-yl)benzamide is CCC(NC(=O)c1ccc(C2(O)COC2)cc1)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)propyl]-4-(3-hydroxyoxetan-3-yl)benzamide?
The InChIKey is WZTPLZXVHDMBKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO3/c1-2-17(13-5-9-16(20)10-6-13)21-18(22)14-3-7-15(8-4-14)19(23)11-24-12-19/h3-10,17,23H,2,11-12H2,1H3,(H,21,22).
What are the key properties of N-[1-(4-chlorophenyl)propyl]-4-(3-hydroxyoxetan-3-yl)benzamide?
N-[1-(4-chlorophenyl)propyl]-4-(3-hydroxyoxetan-3-yl)benzamide has a molecular weight of 345.83 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)propyl]-4-(3-hydroxyoxetan-3-yl)benzamide is sourced from PubChem (CID 166266588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).