N-(3,5-dichlorophenyl)-3-[[(2S)-oxolan-2-yl]methoxy]benzamide

C18H17Cl2NO3 — CID 33498591

IUPACN-(3,5-dichlorophenyl)-3-[[(2S)-oxolan-2-yl]methoxy]benzamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)c1cccc(OC[C@@H]2CCCO2)c1
InChIInChI=1S/C18H17Cl2NO3/c19-13-8-14(20)10-15(9-13)21-18(22)12-3-1-4-16(7-12)24-11-17-5-2-6-23-17/h1,3-4,7-10,17H,2,5-6,11H2,(H,21,22)/t17-/m0/s1
InChIKeyFRNGMFIKRCQYOK-KRWDZBQOSA-N
MW366.24 g/mol
LogP4.80
Rot. Bonds5

About N-(3,5-dichlorophenyl)-3-[[(2S)-oxolan-2-yl]methoxy]benzamide

N-(3,5-dichlorophenyl)-3-[[(2S)-oxolan-2-yl]methoxy]benzamide (PubChem CID 33498591) has the molecular formula C18H17Cl2NO3 and a molecular weight of 366.24 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-3-[[(2S)-oxolan-2-yl]methoxy]benzamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-3-[[(2S)-oxolan-2-yl]methoxy]benzamide
PubChem CID33498591
Molecular FormulaC18H17Cl2NO3
Molecular Weight366.24 g/mol
Exact Mass365.06
IUPAC NameN-(3,5-dichlorophenyl)-3-[[(2S)-oxolan-2-yl]methoxy]benzamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)c1cccc(OC[C@@H]2CCCO2)c1
InChIInChI=1S/C18H17Cl2NO3/c19-13-8-14(20)10-15(9-13)21-18(22)12-3-1-4-16(7-12)24-11-17-5-2-6-23-17/h1,3-4,7-10,17H,2,5-6,11H2,(H,21,22)/t17-/m0/s1
InChIKeyFRNGMFIKRCQYOK-KRWDZBQOSA-N
XLogP4.80
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.24
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(oxolan-2-ylmethoxy)phenyl]-3-(2-phenoxyethoxy)benzamide
CID 17141902
methyl 3-[[3-[[(2R)-oxolan-2-yl]methoxy]benzoyl]amino]benzoate
CID 25496492
3-acetamido-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 46802911
3-cyano-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 42950380
1-(3-chlorophenyl)-3-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]urea
CID 41445181
1-(3-chlorophenyl)-3-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea
CID 41445173
propan-2-yl 4-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]benzoate
CID 24633199
3-bromo-N-(3,5-dichlorophenyl)-4-(oxolan-2-ylmethoxy)benzamide
CID 17131675
3-(2-methylpropoxy)-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 17140356
2-methyl-2-[4-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]phenyl]propanoic acid
CID 119254234
N-(2-aminophenyl)-3-(oxolan-2-ylmethoxy)benzamide
CID 119421992
3-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]carbamoyl]benzoic acid
CID 129465786

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-3-[[(2S)-oxolan-2-yl]methoxy]benzamide?
The IUPAC name of N-(3,5-dichlorophenyl)-3-[[(2S)-oxolan-2-yl]methoxy]benzamide (CID 33498591) is N-(3,5-dichlorophenyl)-3-[[(2S)-oxolan-2-yl]methoxy]benzamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-3-[[(2S)-oxolan-2-yl]methoxy]benzamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-3-[[(2S)-oxolan-2-yl]methoxy]benzamide is O=C(Nc1cc(Cl)cc(Cl)c1)c1cccc(OC[C@@H]2CCCO2)c1.
What is the InChIKey of N-(3,5-dichlorophenyl)-3-[[(2S)-oxolan-2-yl]methoxy]benzamide?
The InChIKey is FRNGMFIKRCQYOK-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H17Cl2NO3/c19-13-8-14(20)10-15(9-13)21-18(22)12-3-1-4-16(7-12)24-11-17-5-2-6-23-17/h1,3-4,7-10,17H,2,5-6,11H2,(H,21,22)/t17-/m0/s1.
What are the key properties of N-(3,5-dichlorophenyl)-3-[[(2S)-oxolan-2-yl]methoxy]benzamide?
N-(3,5-dichlorophenyl)-3-[[(2S)-oxolan-2-yl]methoxy]benzamide has a molecular weight of 366.24 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-3-[[(2S)-oxolan-2-yl]methoxy]benzamide is sourced from PubChem (CID 33498591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).