N-[4-[(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl]oxyphenyl]benzamide

C22H19ClN2O3 — CID 9252923

IUPACN-[4-[(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl]oxyphenyl]benzamide
SMILESC[C@@H](Oc1ccc(NC(=O)c2ccccc2)cc1)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C22H19ClN2O3/c1-15(21(26)25-19-9-5-8-17(23)14-19)28-20-12-10-18(11-13-20)24-22(27)16-6-3-2-4-7-16/h2-15H,1H3,(H,24,27)(H,25,26)/t15-/m1/s1
InChIKeyDYCMPTXFHCXXGR-OAHLLOKOSA-N
MW394.86 g/mol
LogP5.00
Rot. Bonds6

About N-[4-[(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl]oxyphenyl]benzamide

N-[4-[(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl]oxyphenyl]benzamide (PubChem CID 9252923) has the molecular formula C22H19ClN2O3 and a molecular weight of 394.86 g/mol. Its IUPAC name is N-[4-[(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl]oxyphenyl]benzamide.

Molecular Properties

Compound NameN-[4-[(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl]oxyphenyl]benzamide
PubChem CID9252923
Molecular FormulaC22H19ClN2O3
Molecular Weight394.86 g/mol
Exact Mass394.11
IUPAC NameN-[4-[(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl]oxyphenyl]benzamide
SMILESC[C@@H](Oc1ccc(NC(=O)c2ccccc2)cc1)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C22H19ClN2O3/c1-15(21(26)25-19-9-5-8-17(23)14-19)28-20-12-10-18(11-13-20)24-22(27)16-6-3-2-4-7-16/h2-15H,1H3,(H,24,27)(H,25,26)/t15-/m1/s1
InChIKeyDYCMPTXFHCXXGR-OAHLLOKOSA-N
XLogP5.00
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.86
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chlorophenyl)-4-[(2S)-1-[(6-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl]oxybenzamide
CID 156704863
N-phenyl-3-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide
CID 54781105
N-(3-chlorophenyl)-4-propan-2-yloxybenzamide
CID 823397
(2R)-2-(3-chlorophenoxy)-N-(3-chlorophenyl)propanamide
CID 966245
methyl 4-[(2S)-1-(3-chloroanilino)-1-oxopropan-2-yl]oxybenzoate
CID 7965118
methyl 4-[1-(3-chloroanilino)-1-oxopropan-2-yl]oxybenzoate
CID 78583530
N-[3-[2-(3-chlorophenoxy)propanoylamino]phenyl]pyridine-4-carboxamide
CID 55610413
2-(4-chlorophenoxy)-N-phenylpropanamide
CID 4943865
3-[2-(4-chlorophenoxy)propanoylamino]benzoic acid
CID 19176856
(2S)-N-(3-chlorophenyl)-2-(4-phenylmethoxyphenoxy)propanamide
CID 7916093
3-[2-(4-chlorophenoxy)propanoylamino]-N-(3-methylphenyl)benzamide
CID 43877483
4-chloro-N-[4-[1-(3-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]benzamide
CID 19645145

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl]oxyphenyl]benzamide?
The IUPAC name of N-[4-[(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl]oxyphenyl]benzamide (CID 9252923) is N-[4-[(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl]oxyphenyl]benzamide.
What is the SMILES notation for N-[4-[(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl]oxyphenyl]benzamide?
The canonical SMILES for N-[4-[(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl]oxyphenyl]benzamide is C[C@@H](Oc1ccc(NC(=O)c2ccccc2)cc1)C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of N-[4-[(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl]oxyphenyl]benzamide?
The InChIKey is DYCMPTXFHCXXGR-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H19ClN2O3/c1-15(21(26)25-19-9-5-8-17(23)14-19)28-20-12-10-18(11-13-20)24-22(27)16-6-3-2-4-7-16/h2-15H,1H3,(H,24,27)(H,25,26)/t15-/m1/s1.
What are the key properties of N-[4-[(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl]oxyphenyl]benzamide?
N-[4-[(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl]oxyphenyl]benzamide has a molecular weight of 394.86 g/mol, XLogP of 5.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl]oxyphenyl]benzamide is sourced from PubChem (CID 9252923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).