3,4-dichloro-N-[4-[(2R)-1-oxo-1-phenylpropan-2-yl]oxyphenyl]benzamide

C22H17Cl2NO3 — CID 1218534

IUPAC3,4-dichloro-N-[4-[(2R)-1-oxo-1-phenylpropan-2-yl]oxyphenyl]benzamide
SMILESC[C@@H](Oc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1)C(=O)c1ccccc1
InChIInChI=1S/C22H17Cl2NO3/c1-14(21(26)15-5-3-2-4-6-15)28-18-10-8-17(9-11-18)25-22(27)16-7-12-19(23)20(24)13-16/h2-14H,1H3,(H,25,27)/t14-/m1/s1
InChIKeyXDMPBVWZHVVTSQ-CQSZACIVSA-N
MW414.29 g/mol
LogP5.90
Rot. Bonds6

About 3,4-dichloro-N-[4-[(2R)-1-oxo-1-phenylpropan-2-yl]oxyphenyl]benzamide

3,4-dichloro-N-[4-[(2R)-1-oxo-1-phenylpropan-2-yl]oxyphenyl]benzamide (PubChem CID 1218534) has the molecular formula C22H17Cl2NO3 and a molecular weight of 414.29 g/mol. Its IUPAC name is 3,4-dichloro-N-[4-[(2R)-1-oxo-1-phenylpropan-2-yl]oxyphenyl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[4-[(2R)-1-oxo-1-phenylpropan-2-yl]oxyphenyl]benzamide
PubChem CID1218534
Molecular FormulaC22H17Cl2NO3
Molecular Weight414.29 g/mol
Exact Mass413.06
IUPAC Name3,4-dichloro-N-[4-[(2R)-1-oxo-1-phenylpropan-2-yl]oxyphenyl]benzamide
SMILESC[C@@H](Oc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1)C(=O)c1ccccc1
InChIInChI=1S/C22H17Cl2NO3/c1-14(21(26)15-5-3-2-4-6-15)28-18-10-8-17(9-11-18)25-22(27)16-7-12-19(23)20(24)13-16/h2-14H,1H3,(H,25,27)/t14-/m1/s1
InChIKeyXDMPBVWZHVVTSQ-CQSZACIVSA-N
XLogP5.90
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.29
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[4-[1-(3-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]benzamide
CID 19645145
N-[4-[(2R)-1-(4-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]-3-nitrobenzamide
CID 41065885
N-[3-[(2R)-1-oxo-1-phenylpropan-2-yl]oxyphenyl]benzamide
CID 977194
N-[4-[1-(3-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]-3-methoxybenzamide
CID 19645150
N-[4-(1-oxo-1-phenylpropan-2-yl)oxyphenyl]thiophene-2-carboxamide
CID 19645060
1,1-dimethyl-3-[4-(1-oxo-1-phenylpropan-2-yl)oxyphenyl]urea
CID 13292214
(2S)-2-(4-chlorophenoxy)-1-phenylpropan-1-one
CID 94165642
3,4-dichloro-N-[4-[4-(2-phenylpropan-2-yl)phenoxy]phenyl]benzamide
CID 4507863
3-methoxy-N-[3-[(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl]oxyphenyl]benzamide
CID 1218490
4-bromo-N-[3-[(2S)-1-oxo-1-phenylpropan-2-yl]oxyphenyl]benzamide
CID 1218528
N-[4-[(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl]oxyphenyl]benzamide
CID 9252923
N-[4-[1-(3-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]-2-methylbenzamide
CID 19645144

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[4-[(2R)-1-oxo-1-phenylpropan-2-yl]oxyphenyl]benzamide?
The IUPAC name of 3,4-dichloro-N-[4-[(2R)-1-oxo-1-phenylpropan-2-yl]oxyphenyl]benzamide (CID 1218534) is 3,4-dichloro-N-[4-[(2R)-1-oxo-1-phenylpropan-2-yl]oxyphenyl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[4-[(2R)-1-oxo-1-phenylpropan-2-yl]oxyphenyl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[4-[(2R)-1-oxo-1-phenylpropan-2-yl]oxyphenyl]benzamide is C[C@@H](Oc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1)C(=O)c1ccccc1.
What is the InChIKey of 3,4-dichloro-N-[4-[(2R)-1-oxo-1-phenylpropan-2-yl]oxyphenyl]benzamide?
The InChIKey is XDMPBVWZHVVTSQ-CQSZACIVSA-N. The full InChI is InChI=1S/C22H17Cl2NO3/c1-14(21(26)15-5-3-2-4-6-15)28-18-10-8-17(9-11-18)25-22(27)16-7-12-19(23)20(24)13-16/h2-14H,1H3,(H,25,27)/t14-/m1/s1.
What are the key properties of 3,4-dichloro-N-[4-[(2R)-1-oxo-1-phenylpropan-2-yl]oxyphenyl]benzamide?
3,4-dichloro-N-[4-[(2R)-1-oxo-1-phenylpropan-2-yl]oxyphenyl]benzamide has a molecular weight of 414.29 g/mol, XLogP of 5.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[4-[(2R)-1-oxo-1-phenylpropan-2-yl]oxyphenyl]benzamide is sourced from PubChem (CID 1218534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).