N-benzyl-2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-methylamino]benzamide

C25H25ClN2O3 — CID 4930793

IUPACN-benzyl-2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-methylamino]benzamide
SMILESCc1cc(OCC(=O)N(C)c2ccccc2C(=O)NCc2ccccc2)cc(C)c1Cl
InChIInChI=1S/C25H25ClN2O3/c1-17-13-20(14-18(2)24(17)26)31-16-23(29)28(3)22-12-8-7-11-21(22)25(30)27-15-19-9-5-4-6-10-19/h4-14H,15-16H2,1-3H3,(H,27,30)
InChIKeyOEWKNQYGTSPPQH-UHFFFAOYSA-N
MW436.94 g/mol
LogP4.93
Rot. Bonds7

About N-benzyl-2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-methylamino]benzamide

N-benzyl-2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-methylamino]benzamide (PubChem CID 4930793) has the molecular formula C25H25ClN2O3 and a molecular weight of 436.94 g/mol. Its IUPAC name is N-benzyl-2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-methylamino]benzamide.

Molecular Properties

Compound NameN-benzyl-2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-methylamino]benzamide
PubChem CID4930793
Molecular FormulaC25H25ClN2O3
Molecular Weight436.94 g/mol
Exact Mass436.16
IUPAC NameN-benzyl-2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-methylamino]benzamide
SMILESCc1cc(OCC(=O)N(C)c2ccccc2C(=O)NCc2ccccc2)cc(C)c1Cl
InChIInChI=1S/C25H25ClN2O3/c1-17-13-20(14-18(2)24(17)26)31-16-23(29)28(3)22-12-8-7-11-21(22)25(30)27-15-19-9-5-4-6-10-19/h4-14H,15-16H2,1-3H3,(H,27,30)
InChIKeyOEWKNQYGTSPPQH-UHFFFAOYSA-N
XLogP4.93
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.94
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]-methylamino]benzamide
CID 17350150
N-benzyl-2-[methyl(3-phenylpropanoyl)amino]benzamide
CID 3609594
2-[[2-(2,6-dimethylphenoxy)acetyl]-methylamino]-N-(2-phenylethyl)benzamide
CID 4930468
2-[methyl-[2-(2-methylphenoxy)acetyl]amino]benzoic acid
CID 45346953
N-benzyl-2-[methyl-(3-propoxybenzoyl)amino]benzamide
CID 4960086
2-[methyl-[2-(4-nitrophenoxy)acetyl]amino]-N-(2-phenylethyl)benzamide
CID 4930550
N-benzyl-2-[[(2R)-2-(2,6-dimethylphenoxy)propanoyl]-methylamino]benzamide
CID 9297562
(2R)-2-[benzyl-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-N-[(2S)-butan-2-yl]propanamide
CID 100521089
N-benzyl-2-[(2-butoxybenzoyl)-methylamino]benzamide
CID 4941063
(2R)-2-[benzyl-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-N-[(2R)-butan-2-yl]butanamide
CID 100649634
(2S)-N-[(2S)-butan-2-yl]-2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-(2-phenylethyl)amino]propanamide
CID 100635911
2-[[2-(4-acetylphenoxy)acetyl]-methylamino]-N-(furan-2-ylmethyl)benzamide
CID 34090050

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-methylamino]benzamide?
The IUPAC name of N-benzyl-2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-methylamino]benzamide (CID 4930793) is N-benzyl-2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-methylamino]benzamide.
What is the SMILES notation for N-benzyl-2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-methylamino]benzamide?
The canonical SMILES for N-benzyl-2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-methylamino]benzamide is Cc1cc(OCC(=O)N(C)c2ccccc2C(=O)NCc2ccccc2)cc(C)c1Cl.
What is the InChIKey of N-benzyl-2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-methylamino]benzamide?
The InChIKey is OEWKNQYGTSPPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN2O3/c1-17-13-20(14-18(2)24(17)26)31-16-23(29)28(3)22-12-8-7-11-21(22)25(30)27-15-19-9-5-4-6-10-19/h4-14H,15-16H2,1-3H3,(H,27,30).
What are the key properties of N-benzyl-2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-methylamino]benzamide?
N-benzyl-2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-methylamino]benzamide has a molecular weight of 436.94 g/mol, XLogP of 4.93, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-methylamino]benzamide is sourced from PubChem (CID 4930793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).