3-chloro-N-[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]-4-hydroxybenzamide

C16H14ClF2NO3 — CID 51933816

IUPAC3-chloro-N-[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]-4-hydroxybenzamide
SMILESC[C@@H](NC(=O)c1ccc(O)c(Cl)c1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C16H14ClF2NO3/c1-9(10-2-5-12(6-3-10)23-16(18)19)20-15(22)11-4-7-14(21)13(17)8-11/h2-9,16,21H,1H3,(H,20,22)/t9-/m1/s1
InChIKeyPZWKDLMXLBANII-SECBINFHSA-N
MW341.74 g/mol
LogP4.14
Rot. Bonds5

About 3-chloro-N-[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]-4-hydroxybenzamide

3-chloro-N-[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]-4-hydroxybenzamide (PubChem CID 51933816) has the molecular formula C16H14ClF2NO3 and a molecular weight of 341.74 g/mol. Its IUPAC name is 3-chloro-N-[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]-4-hydroxybenzamide.

Molecular Properties

Compound Name3-chloro-N-[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]-4-hydroxybenzamide
PubChem CID51933816
Molecular FormulaC16H14ClF2NO3
Molecular Weight341.74 g/mol
Exact Mass341.06
IUPAC Name3-chloro-N-[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]-4-hydroxybenzamide
SMILESC[C@@H](NC(=O)c1ccc(O)c(Cl)c1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C16H14ClF2NO3/c1-9(10-2-5-12(6-3-10)23-16(18)19)20-15(22)11-4-7-14(21)13(17)8-11/h2-9,16,21H,1H3,(H,20,22)/t9-/m1/s1
InChIKeyPZWKDLMXLBANII-SECBINFHSA-N
XLogP4.14
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.74
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-bromophenyl)ethyl]-3-chloro-4-hydroxybenzamide
CID 47097730
N-[1-(4-aminophenyl)ethyl]-3-chloro-4-hydroxybenzamide
CID 43297503
N-[(1R)-1-(4-bromophenyl)ethyl]-4-(difluoromethoxy)benzamide
CID 7948910
2-chloro-4-[1-[4-(difluoromethoxy)phenyl]ethylamino]phenol
CID 107678509
N-[(1S)-1-[4-(difluoromethoxy)phenyl]ethyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 39991399
N-[(1S)-1-[4-(difluoromethoxy)phenyl]ethyl]furan-3-carboxamide
CID 39991415
3-chloro-4-hydroxy-N-[1-(4-morpholin-4-ylphenyl)ethyl]benzamide
CID 48692579
4-amino-3-chloro-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 81368815
4-amino-3-chloro-N-[1-(4-methoxyphenyl)ethyl]benzamide
CID 66196616
3-(difluoromethoxy)-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]benzamide
CID 2537276
3-chloro-4-hydroxy-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]benzamide
CID 31206996
2-chloro-N-[1-[4-(difluoromethoxy)phenyl]ethyl]-4-nitrobenzamide
CID 42948348

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]-4-hydroxybenzamide?
The IUPAC name of 3-chloro-N-[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]-4-hydroxybenzamide (CID 51933816) is 3-chloro-N-[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]-4-hydroxybenzamide.
What is the SMILES notation for 3-chloro-N-[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]-4-hydroxybenzamide?
The canonical SMILES for 3-chloro-N-[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]-4-hydroxybenzamide is C[C@@H](NC(=O)c1ccc(O)c(Cl)c1)c1ccc(OC(F)F)cc1.
What is the InChIKey of 3-chloro-N-[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]-4-hydroxybenzamide?
The InChIKey is PZWKDLMXLBANII-SECBINFHSA-N. The full InChI is InChI=1S/C16H14ClF2NO3/c1-9(10-2-5-12(6-3-10)23-16(18)19)20-15(22)11-4-7-14(21)13(17)8-11/h2-9,16,21H,1H3,(H,20,22)/t9-/m1/s1.
What are the key properties of 3-chloro-N-[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]-4-hydroxybenzamide?
3-chloro-N-[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]-4-hydroxybenzamide has a molecular weight of 341.74 g/mol, XLogP of 4.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]-4-hydroxybenzamide is sourced from PubChem (CID 51933816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).