N-benzyl-4-[(2R)-1-(3-chloro-4-methylanilino)-1-oxopropan-2-yl]oxybenzamide

C24H23ClN2O3 — CID 7709326

IUPACN-benzyl-4-[(2R)-1-(3-chloro-4-methylanilino)-1-oxopropan-2-yl]oxybenzamide
SMILESCc1ccc(NC(=O)[C@@H](C)Oc2ccc(C(=O)NCc3ccccc3)cc2)cc1Cl
InChIInChI=1S/C24H23ClN2O3/c1-16-8-11-20(14-22(16)25)27-23(28)17(2)30-21-12-9-19(10-13-21)24(29)26-15-18-6-4-3-5-7-18/h3-14,17H,15H2,1-2H3,(H,26,29)(H,27,28)/t17-/m1/s1
InChIKeyHJJASLXMWMFUEQ-QGZVFWFLSA-N
MW422.91 g/mol
LogP4.98
Rot. Bonds7

About N-benzyl-4-[(2R)-1-(3-chloro-4-methylanilino)-1-oxopropan-2-yl]oxybenzamide

N-benzyl-4-[(2R)-1-(3-chloro-4-methylanilino)-1-oxopropan-2-yl]oxybenzamide (PubChem CID 7709326) has the molecular formula C24H23ClN2O3 and a molecular weight of 422.91 g/mol. Its IUPAC name is N-benzyl-4-[(2R)-1-(3-chloro-4-methylanilino)-1-oxopropan-2-yl]oxybenzamide.

Molecular Properties

Compound NameN-benzyl-4-[(2R)-1-(3-chloro-4-methylanilino)-1-oxopropan-2-yl]oxybenzamide
PubChem CID7709326
Molecular FormulaC24H23ClN2O3
Molecular Weight422.91 g/mol
Exact Mass422.14
IUPAC NameN-benzyl-4-[(2R)-1-(3-chloro-4-methylanilino)-1-oxopropan-2-yl]oxybenzamide
SMILESCc1ccc(NC(=O)[C@@H](C)Oc2ccc(C(=O)NCc3ccccc3)cc2)cc1Cl
InChIInChI=1S/C24H23ClN2O3/c1-16-8-11-20(14-22(16)25)27-23(28)17(2)30-21-12-9-19(10-13-21)24(29)26-15-18-6-4-3-5-7-18/h3-14,17H,15H2,1-2H3,(H,26,29)(H,27,28)/t17-/m1/s1
InChIKeyHJJASLXMWMFUEQ-QGZVFWFLSA-N
XLogP4.98
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.91
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-4-[1-oxo-1-(4-phenoxyanilino)propan-2-yl]oxybenzamide
CID 4252954
N-benzyl-4-[(2R)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl]oxybenzamide
CID 1179514
N-benzyl-4-[2-(4-nitrophenoxy)propanoylamino]benzamide
CID 43887414
N-(3-chloro-4-methylphenyl)-2-(3-ethylphenoxy)propanamide
CID 53267219
(2S)-2-(4-bromophenoxy)-N-(3-chloro-4-methylphenyl)propanamide
CID 7900423
(2S)-N-(3-chloro-4-methylphenyl)-2-(4-fluorophenoxy)propanamide
CID 7734043
1-N-benzyl-4-N-(4-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide
CID 109046741
methyl 2-[4-(benzylcarbamoyl)phenoxy]propanoate
CID 2792535
N-benzyl-3-[2-(2,5-dimethylphenoxy)propanoylamino]benzamide
CID 43887128
N-(2-methoxyethyl)-4-(2-phenoxypropanoylamino)benzamide
CID 17218253
N-[2-[[4-(2-phenoxypropanoylamino)benzoyl]amino]ethyl]furan-2-carboxamide
CID 121062862
(2S)-N-(3-chloro-4-methylphenyl)-2-(2,6-dimethylphenoxy)propanamide
CID 9297447

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[(2R)-1-(3-chloro-4-methylanilino)-1-oxopropan-2-yl]oxybenzamide?
The IUPAC name of N-benzyl-4-[(2R)-1-(3-chloro-4-methylanilino)-1-oxopropan-2-yl]oxybenzamide (CID 7709326) is N-benzyl-4-[(2R)-1-(3-chloro-4-methylanilino)-1-oxopropan-2-yl]oxybenzamide.
What is the SMILES notation for N-benzyl-4-[(2R)-1-(3-chloro-4-methylanilino)-1-oxopropan-2-yl]oxybenzamide?
The canonical SMILES for N-benzyl-4-[(2R)-1-(3-chloro-4-methylanilino)-1-oxopropan-2-yl]oxybenzamide is Cc1ccc(NC(=O)[C@@H](C)Oc2ccc(C(=O)NCc3ccccc3)cc2)cc1Cl.
What is the InChIKey of N-benzyl-4-[(2R)-1-(3-chloro-4-methylanilino)-1-oxopropan-2-yl]oxybenzamide?
The InChIKey is HJJASLXMWMFUEQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H23ClN2O3/c1-16-8-11-20(14-22(16)25)27-23(28)17(2)30-21-12-9-19(10-13-21)24(29)26-15-18-6-4-3-5-7-18/h3-14,17H,15H2,1-2H3,(H,26,29)(H,27,28)/t17-/m1/s1.
What are the key properties of N-benzyl-4-[(2R)-1-(3-chloro-4-methylanilino)-1-oxopropan-2-yl]oxybenzamide?
N-benzyl-4-[(2R)-1-(3-chloro-4-methylanilino)-1-oxopropan-2-yl]oxybenzamide has a molecular weight of 422.91 g/mol, XLogP of 4.98, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[(2R)-1-(3-chloro-4-methylanilino)-1-oxopropan-2-yl]oxybenzamide is sourced from PubChem (CID 7709326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).