4-chloro-N-[2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]ethyl]benzamide

C21H25ClN2O3 — CID 34992949

IUPAC4-chloro-N-[2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]ethyl]benzamide
SMILESCc1ccc(C(C)C)c(OCC(=O)NCCNC(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C21H25ClN2O3/c1-14(2)18-9-4-15(3)12-19(18)27-13-20(25)23-10-11-24-21(26)16-5-7-17(22)8-6-16/h4-9,12,14H,10-11,13H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyVUPDBMLLUSPJQP-UHFFFAOYSA-N
MW388.90 g/mol
LogP3.70
Rot. Bonds8

About 4-chloro-N-[2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]ethyl]benzamide

4-chloro-N-[2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]ethyl]benzamide (PubChem CID 34992949) has the molecular formula C21H25ClN2O3 and a molecular weight of 388.90 g/mol. Its IUPAC name is 4-chloro-N-[2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]ethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]ethyl]benzamide
PubChem CID34992949
Molecular FormulaC21H25ClN2O3
Molecular Weight388.90 g/mol
Exact Mass388.16
IUPAC Name4-chloro-N-[2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]ethyl]benzamide
SMILESCc1ccc(C(C)C)c(OCC(=O)NCCNC(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C21H25ClN2O3/c1-14(2)18-9-4-15(3)12-19(18)27-13-20(25)23-10-11-24-21(26)16-5-7-17(22)8-6-16/h4-9,12,14H,10-11,13H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyVUPDBMLLUSPJQP-UHFFFAOYSA-N
XLogP3.70
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.90
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[1-(4-chlorophenyl)ethylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 3406819
N-[(2,4-dichlorophenyl)methyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 46762453
2-(5-methyl-2-propan-2-ylphenoxy)-N-(2-methylpropyl)acetamide
CID 18823962
N-(3-ethoxypropyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 78759998
N-(2-amino-4-chlorophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 91689013
N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-4-propan-2-yloxybenzohydrazide
CID 4952125
N-[2-(3,4-dimethylphenoxy)ethyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 100559902
N-[3-(3-methylphenyl)propyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 100532072
2-(5-methyl-2-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 78759979
2,4-dimethyl-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]benzohydrazide
CID 7600117
N-[2-(benzenesulfonamido)ethyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 86922039
N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-4-pyrrol-1-ylbenzohydrazide
CID 24517670

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]ethyl]benzamide?
The IUPAC name of 4-chloro-N-[2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]ethyl]benzamide (CID 34992949) is 4-chloro-N-[2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]ethyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]ethyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]ethyl]benzamide is Cc1ccc(C(C)C)c(OCC(=O)NCCNC(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of 4-chloro-N-[2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]ethyl]benzamide?
The InChIKey is VUPDBMLLUSPJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O3/c1-14(2)18-9-4-15(3)12-19(18)27-13-20(25)23-10-11-24-21(26)16-5-7-17(22)8-6-16/h4-9,12,14H,10-11,13H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of 4-chloro-N-[2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]ethyl]benzamide?
4-chloro-N-[2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]ethyl]benzamide has a molecular weight of 388.90 g/mol, XLogP of 3.70, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]ethyl]benzamide is sourced from PubChem (CID 34992949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).