4-chloro-N-[4-[1-(3-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]benzamide

C22H17Cl2NO3 — CID 19645145

IUPAC4-chloro-N-[4-[1-(3-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]benzamide
SMILESCC(Oc1ccc(NC(=O)c2ccc(Cl)cc2)cc1)C(=O)c1cccc(Cl)c1
InChIInChI=1S/C22H17Cl2NO3/c1-14(21(26)16-3-2-4-18(24)13-16)28-20-11-9-19(10-12-20)25-22(27)15-5-7-17(23)8-6-15/h2-14H,1H3,(H,25,27)
InChIKeyYMZUPCXXJDNXCV-UHFFFAOYSA-N
MW414.29 g/mol
LogP5.90
Rot. Bonds6

About 4-chloro-N-[4-[1-(3-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]benzamide

4-chloro-N-[4-[1-(3-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]benzamide (PubChem CID 19645145) has the molecular formula C22H17Cl2NO3 and a molecular weight of 414.29 g/mol. Its IUPAC name is 4-chloro-N-[4-[1-(3-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[4-[1-(3-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]benzamide
PubChem CID19645145
Molecular FormulaC22H17Cl2NO3
Molecular Weight414.29 g/mol
Exact Mass413.06
IUPAC Name4-chloro-N-[4-[1-(3-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]benzamide
SMILESCC(Oc1ccc(NC(=O)c2ccc(Cl)cc2)cc1)C(=O)c1cccc(Cl)c1
InChIInChI=1S/C22H17Cl2NO3/c1-14(21(26)16-3-2-4-18(24)13-16)28-20-11-9-19(10-12-20)25-22(27)15-5-7-17(23)8-6-15/h2-14H,1H3,(H,25,27)
InChIKeyYMZUPCXXJDNXCV-UHFFFAOYSA-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-[3-[1-(3-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]benzamide
CID 19645135
N-[4-[1-(3-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]-4-nitrobenzamide
CID 19645148
N-[4-[1-(3-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]-3-methoxybenzamide
CID 19645150
N-[4-[1-(3-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]-2-methylbenzamide
CID 19645144
N-[4-[(2R)-1-(3-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]thiophene-2-carboxamide
CID 1218507
methyl 2-[4-[(4-chlorophenyl)carbamoyl]phenoxy]propanoate
CID 3663936
N-[4-[(2R)-1-(4-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]-3-nitrobenzamide
CID 41065885
N-[4-[(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl]oxyphenyl]benzamide
CID 9252923
3,4-dichloro-N-[4-[(2R)-1-oxo-1-phenylpropan-2-yl]oxyphenyl]benzamide
CID 1218534
N-(3-chlorophenyl)-4-propan-2-yloxybenzamide
CID 823397
1-[4-[1-(4-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]-3-hydroxyurea
CID 134113078
1-(3-chlorophenyl)-2-(4-methylsulfanylphenoxy)propan-1-one
CID 63649694

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-[1-(3-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]benzamide?
The IUPAC name of 4-chloro-N-[4-[1-(3-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]benzamide (CID 19645145) is 4-chloro-N-[4-[1-(3-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]benzamide.
What is the SMILES notation for 4-chloro-N-[4-[1-(3-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]benzamide?
The canonical SMILES for 4-chloro-N-[4-[1-(3-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]benzamide is CC(Oc1ccc(NC(=O)c2ccc(Cl)cc2)cc1)C(=O)c1cccc(Cl)c1.
What is the InChIKey of 4-chloro-N-[4-[1-(3-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]benzamide?
The InChIKey is YMZUPCXXJDNXCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl2NO3/c1-14(21(26)16-3-2-4-18(24)13-16)28-20-11-9-19(10-12-20)25-22(27)15-5-7-17(23)8-6-15/h2-14H,1H3,(H,25,27).
What are the key properties of 4-chloro-N-[4-[1-(3-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]benzamide?
4-chloro-N-[4-[1-(3-chlorophenyl)-1-oxopropan-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 4-chloro-N-[4-[1-(3-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]benzamide is sourced from PubChem (CID 19645145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).