N-butan-2-yl-2-[2-(3-chlorophenoxy)butanoylamino]benzamide

C21H25ClN2O3 — CID 46772085

IUPACN-butan-2-yl-2-[2-(3-chlorophenoxy)butanoylamino]benzamide
SMILESCCC(C)NC(=O)c1ccccc1NC(=O)C(CC)Oc1cccc(Cl)c1
InChIInChI=1S/C21H25ClN2O3/c1-4-14(3)23-20(25)17-11-6-7-12-18(17)24-21(26)19(5-2)27-16-10-8-9-15(22)13-16/h6-14,19H,4-5H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyIKJJZYWAQWCXLI-UHFFFAOYSA-N
MW388.90 g/mol
LogP4.66
Rot. Bonds8

About N-butan-2-yl-2-[2-(3-chlorophenoxy)butanoylamino]benzamide

N-butan-2-yl-2-[2-(3-chlorophenoxy)butanoylamino]benzamide (PubChem CID 46772085) has the molecular formula C21H25ClN2O3 and a molecular weight of 388.90 g/mol. Its IUPAC name is N-butan-2-yl-2-[2-(3-chlorophenoxy)butanoylamino]benzamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[2-(3-chlorophenoxy)butanoylamino]benzamide
PubChem CID46772085
Molecular FormulaC21H25ClN2O3
Molecular Weight388.90 g/mol
Exact Mass388.16
IUPAC NameN-butan-2-yl-2-[2-(3-chlorophenoxy)butanoylamino]benzamide
SMILESCCC(C)NC(=O)c1ccccc1NC(=O)C(CC)Oc1cccc(Cl)c1
InChIInChI=1S/C21H25ClN2O3/c1-4-14(3)23-20(25)17-11-6-7-12-18(17)24-21(26)19(5-2)27-16-10-8-9-15(22)13-16/h6-14,19H,4-5H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyIKJJZYWAQWCXLI-UHFFFAOYSA-N
XLogP4.66
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 ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-2-[2-(3,5-dimethylphenoxy)butanoylamino]benzamide
CID 132657473
methyl 2-[2-(3-chlorophenoxy)butanoylamino]benzoate
CID 43904326
2-(3-chlorophenoxy)-N-(2-methylsulfanylphenyl)butanamide
CID 43915885
(2S)-2-(3-chlorophenoxy)-N-(2-ethylsulfanylphenyl)butanamide
CID 92682680
N-[(2S)-butan-2-yl]-2-[[(2S)-2-(2-fluorophenoxy)butanoyl]amino]benzamide
CID 9173752
N-[(2S)-butan-2-yl]-2-[[(2S)-2-(3-methylphenoxy)propanoyl]amino]benzamide
CID 26074772
N-butan-2-yl-2-[2-(3-methoxyphenoxy)propanoylamino]benzamide
CID 43877103
N-(3-chloro-2-methylphenyl)-2-(3-chlorophenoxy)butanamide
CID 43916773
(2R)-N-(4-chloro-2-methylphenyl)-2-(3-chlorophenoxy)butanamide
CID 28632431
2-[2-(3-chlorophenoxy)propanoylamino]-N-propylbenzamide
CID 42906301
2-[2-(3-chlorophenoxy)propanoylamino]benzoic acid
CID 2975075
2-[2-(3-chlorophenoxy)propanoylamino]-N-(2-methoxyethyl)benzamide
CID 43908435

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[2-(3-chlorophenoxy)butanoylamino]benzamide?
The IUPAC name of N-butan-2-yl-2-[2-(3-chlorophenoxy)butanoylamino]benzamide (CID 46772085) is N-butan-2-yl-2-[2-(3-chlorophenoxy)butanoylamino]benzamide.
What is the SMILES notation for N-butan-2-yl-2-[2-(3-chlorophenoxy)butanoylamino]benzamide?
The canonical SMILES for N-butan-2-yl-2-[2-(3-chlorophenoxy)butanoylamino]benzamide is CCC(C)NC(=O)c1ccccc1NC(=O)C(CC)Oc1cccc(Cl)c1.
What is the InChIKey of N-butan-2-yl-2-[2-(3-chlorophenoxy)butanoylamino]benzamide?
The InChIKey is IKJJZYWAQWCXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O3/c1-4-14(3)23-20(25)17-11-6-7-12-18(17)24-21(26)19(5-2)27-16-10-8-9-15(22)13-16/h6-14,19H,4-5H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of N-butan-2-yl-2-[2-(3-chlorophenoxy)butanoylamino]benzamide?
N-butan-2-yl-2-[2-(3-chlorophenoxy)butanoylamino]benzamide has a molecular weight of 388.90 g/mol, XLogP of 4.66, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[2-(3-chlorophenoxy)butanoylamino]benzamide is sourced from PubChem (CID 46772085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).